SCHEMBL16771014

SCHEMBL16771014

CC(C)(C)OC(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2C[C@@H](Oc2cc(Cl)cc(Cl)c2)C3)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.67
▸ OPRK1 P41145 11/20 0.39
▸ KCNH2 Q12809 11/20 0.39
▸ OPRM1 P35372 8/20 0.39
▸ OPRD1 P41143 2/20 0.35
▸ SCN7A Q01118 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18682203 1.00 SCN9A (0.67) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL17061699 1.00 SCN9A (0.67) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL16771193 1.00 SCN9A (0.67) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL17061915 0.94 SCN9A (0.60) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL21825501 0.94 SCN9A (0.60) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL18682214 0.94 SCN9A (0.60) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL17069399 0.94 SCN9A (0.60) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL17061913 0.94 SCN9A (0.60) SCN9AOPRK1KCNH2OPRM1OPRD1
SCHEMBL16759627 0.87 SCN9A (0.51) SCN9ASCN7ASCN5A
SCHEMBL16759257 0.87 SCN9A (0.51) SCN9AKCNH2SCN7ASCN5A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 — — US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — 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 (4 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885OPRK1 1311/4885KCNH2 456/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885OPRK1 1787/4885KCNH2 426/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885OPRK1 1593/4885KCNH2 829/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885OPRK1 1311/4885KCNH2 456/4885

“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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