Sugi Predict

Sugi Predict / Compounds / SCHEMBL93867

SCHEMBL93867

SCHEMBL93867

C[N+](C)(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.68
▸ SLC6A2 P23975 4/20 0.68
▸ SLC6A3 Q01959 4/20 0.68
▸ KCNK2 O95069 2/20 0.68
▸ KCNH2 Q12809 2/20 0.68
▸ CACNA1C Q13936 2/20 0.68
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ HRH3 Q9Y5N1 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ MTOR P42345 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ HTR2C P28335 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67

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
SCHEMBL8931268 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrochloric Acid SCHEMBL8728305 0.85 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7056582 0.84 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13267598 0.84 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5577138 0.81 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL3750512 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL686500 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7426717 0.81 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2690834 0.81 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Seproxetine SCHEMBL272873 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3485881-B1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS HARVARD COLLEGE (US) 2024-03-13 — — EP 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
EP-2446903-B1 Compositions for treating itch HARVARD COLLEGE (US) 2019-10-09 — — EP 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-3485881-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2019-05-22 — — EP disclosed
US-10179116-B2 Methods, compositions, and kits for treating pain and pruritis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-15 — — US disclosed
EP-2451944-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2012-05-16 — — EP disclosed
EP-2446903-A2 Methods, compositions, and kits for treating pain and pruritis President and Fellows of Harvard College (US) 2012-05-02 — — EP disclosed
EP-2425858-A2 Compositions for treating pain and pruritus President and Fellows of Harvard College (US) 2012-03-07 — — EP disclosed
EP-2029566-B1 NOVEL SEROTONIN REUPTAKE INHIBITORS AS DRUGS HAVING PERIPHERAL-SYSTEM-RESTRICTED ACTIVITY UNIV RAMOT (IL) 2011-04-27 — — EP 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
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 — — WO disclosed
US-20100260750-A1 Novel serotonin reuptake inhibitors as drugs having peripheral-system-restricted activity RAMOT AT TEL AVIV UNIVERSITY LTD (IL) 2010-10-14 — — 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
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 — — EP disclosed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 — — 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 (10 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-20100260750-A1 Novel serotonin reuptake inhibitors as drugs having peripheral-system-restricted activity SLC6A4, SLC18A2, SLC6A2 SLC6A4 1/4885SLC6A2 3/4885SLC6A3 10/4885
US-10179116-B2 Methods, compositions, and kits for treating pain and pruritis TRPV1, TRPV2, TRPV3 SLC6A4 678/4885SLC6A2 597/4885SLC6A3 1084/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 SLC6A4 760/4885SLC6A2 466/4885SLC6A3 1036/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A4 760/4885SLC6A2 466/4885SLC6A3 1036/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 SLC6A4 198/4885SLC6A2 265/4885SLC6A3 586/4885
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS TRPV1, OPRL1, ITCH SLC6A4 774/4885SLC6A2 611/4885SLC6A3 1039/4885
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 SLC6A4 678/4885SLC6A2 597/4885SLC6A3 1084/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A4 760/4885SLC6A2 466/4885SLC6A3 1036/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 SLC6A4 760/4885SLC6A2 466/4885SLC6A3 1036/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 SLC6A4 761/4885SLC6A2 459/4885SLC6A3 1023/4885

“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.