SCHEMBL11932030

SCHEMBL11932030

NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 1.00
CACNA1C Q13936 3/20 0.52
CACNA1F O60840 2/20 0.52
DRD4 P21917 2/20 0.52
DRD5 P21918 2/20 0.52
HRH2 P25021 2/20 0.52
ADRA1D P25100 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
ADRA1A P35348 2/20 0.52
HRH1 P35367 2/20 0.52
ADRA1B P35368 2/20 0.52
OPRM1 P35372 2/20 0.52
DRD3 P35462 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
HTR6 P50406 2/20 0.52
CACNA1D Q01668 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CACNA1S Q13698 2/20 0.52

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
SCHEMBL22951229 0.88 CACNA1B (0.78) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4386075 0.80 CACNA1B (0.66) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4277600 0.76 CACNA1B (0.60) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL14115762 0.76 POLB (0.61) CACNA1BKMT2A
SCHEMBL5633412 0.75 KCNH2 (0.62) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4282408 0.73 CACNA1B (0.56) CACNA1BHTR2AHTR2CKCNH2
SCHEMBL31370057 0.72 CACNA1B (0.56) CACNA1BKMT2ADPP4DPP8
SCHEMBL5675574 0.72 CACNA1F (0.57) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4150889 0.71 GNAI3 (0.57) CACNA1BDPP4DPP9DPP8
SCHEMBL2862307 0.71 CACNA1B (0.54) CACNA1BCACNA1CCACNA1FDRD4DRD5

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 9 patents. 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-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-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
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

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

For each of this compound's patents that has machine-readable text (7 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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CACNA1C 4/4885CACNA1F 6/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CACNA1C 4/4885CACNA1F 6/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CACNA1C 4/4885CACNA1F 6/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CACNA1B 33/4885CACNA1C 84/4885CACNA1F 82/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CACNA1C 4/4885CACNA1F 6/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CACNA1C 4/4885CACNA1F 6/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 CACNA1B 1/4885CACNA1C 4/4885CACNA1F 6/4885

“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.