SCHEMBL11540939

SCHEMBL11540939

CC(c1cccc(Cl)c1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
SLC6A2 P23975 3/20 0.44
OPRK1 P41145 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
AOC3 Q16853 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
ITGA5 P08648 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRND Q07001 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2B6 P20813 1/20 0.43

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
SCHEMBL18682090 1.00 PNMT (0.46) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL25888594 1.00 PNMT (0.46) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL18014765 0.89 PGR (0.44) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL16233654 0.82 PNMT (0.48) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL20747579 0.81 AOC3 (0.45) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL26262587 0.79 AOC3 (0.47) PNMTOPRK1AOC3ALDH1A1ACP3
SCHEMBL14667566 0.78 AOC3 (0.46) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL17084113 0.78 AOC3 (0.46) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL10442439 0.78 AOC3 (0.46) PNMTSLC6A2OPRK1SLC6A4SLC6A3
SCHEMBL23762528 0.78 TSHR (0.40) SLC6A2OPRK1SLC6A4SLC6A3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 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-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-4178327-A FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1979-12-11 US disclosed
US-4054733-A MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1977-10-18 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 (6 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC PNMT 4448/4885SLC6A2 4557/4885OPRK1 404/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC PNMT 4692/4885SLC6A2 4710/4885OPRK1 532/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 PNMT 3802/4885SLC6A2 2458/4885OPRK1 992/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PNMT 1911/4885SLC6A2 1283/4885OPRK1 1311/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PNMT 2378/4885SLC6A2 1679/4885OPRK1 1787/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PNMT 1402/4885SLC6A2 927/4885OPRK1 1593/4885

“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.