SCHEMBL11932037

SCHEMBL11932037

N#CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.73
▸ DRD4 P21917 6/20 0.73
▸ DRD2 P14416 6/20 0.73
▸ DRD3 P35462 6/20 0.73
▸ CHRM1 P11229 5/20 0.73
▸ HRH1 P35367 4/20 0.73
▸ ADRA2A P08913 4/20 0.73
▸ HTR2A P28223 4/20 0.73
▸ HRH2 P25021 3/20 0.73
▸ CHRM2 P08172 3/20 0.73
▸ HTR1A P08908 3/20 0.73
▸ ADRA2B P18089 3/20 0.73
▸ ADRA2C P18825 3/20 0.73
▸ CHRM3 P20309 3/20 0.73
▸ DRD1 P21728 3/20 0.73
▸ SLC6A2 P23975 3/20 0.73
▸ HTR2C P28335 3/20 0.73
▸ SLC6A4 P31645 3/20 0.73
▸ ADRA1A P35348 3/20 0.73
▸ OPRM1 P35372 3/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31098221 0.85 HRH4 (0.69) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL19386241 0.84 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL29374082 0.84 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL94146 0.84 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL29482385 0.84 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL30324780 0.84 HRH4 (1.00) HRH4DRD4DRD2DRD3CHRM1
SCHEMBL25410757 0.84 HRH4 (0.77) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL30903930 0.83 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL4164270 0.83 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1
Loxapine SCHEMBL41625 0.83 HRH4 (0.98) HRH4DRD4DRD2DRD3CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 — — US disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 — — US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 — — US disclosed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 — — US disclosed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 — — US disclosed
US-11021443-B2 Charged ion channel blockers and methods for use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 — — US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 — — US disclosed
US-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 — — US disclosed
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-08-04 — — US disclosed
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION 2019-07-18 — — US disclosed
EP-2995303-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2016-03-16 — — EP disclosed
US-20150087714-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-03-26 — — US disclosed
US-20150087714-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-03-26 — — US disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 — — US disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 — — US disclosed
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-14 — — US disclosed
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-14 — — US disclosed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 — — US disclosed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 — — US disclosed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPA1 HRH4 149/4885DRD4 3284/4885DRD2 2743/4885
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH4 370/4885DRD4 2680/4885DRD2 2545/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 HRH4 370/4885DRD4 2680/4885DRD2 2545/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH4 370/4885DRD4 2680/4885DRD2 2545/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 HRH4 1435/4885DRD4 2125/4885DRD2 1725/4885
US-11021443-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPA1 HRH4 149/4885DRD4 3284/4885DRD2 2743/4885
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS TRPV1, OPRL1, ITCH HRH4 156/4885DRD4 2750/4885DRD2 2286/4885
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 HRH4 87/4885DRD4 2924/4885DRD2 2087/4885
US-20150087714-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPA1 HRH4 107/4885DRD4 3076/4885DRD2 2070/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH4 370/4885DRD4 2680/4885DRD2 2545/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH4 370/4885DRD4 2680/4885DRD2 2545/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 HRH4 411/4885DRD4 2650/4885DRD2 2442/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 HRH4 87/4885DRD4 2924/4885DRD2 2087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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