SCHEMBL16767321

SCHEMBL16767321

N#CC1(c2ccc(Cl)cc2C=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 2/20 0.36
PTPN1 P18031 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.32
XDH P47989 1/20 0.31
PDE7A Q13946 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL16767385 0.81 SRC (0.37) ERN1OPRM1GABRA1GABRG2GABRB3
SCHEMBL838201 0.78 SLC6A4 (0.45) OPRM1GABRA1GABRG2GABRB3ALDH1A1
SCHEMBL29457607 0.78 SLC6A4 (0.45) OPRM1GABRA1GABRG2GABRB3ALDH1A1
SCHEMBL28691096 0.76 OPRM1 (0.39) OPRM1SLC6A4SLC6A3MAP4K4
SCHEMBL17878205 0.76 KMT2A (0.43) ERN1TDP1OPRM1ALDH1A1
SCHEMBL31454423 0.75 OPRM1 (0.38) OPRM1OTUD7BPDE7ASLC6A4SLC6A3
SCHEMBL31459632 0.75 CYP3A4 (0.42) OPRM1SLC6A4SLC6A3MAP4K4
SCHEMBL16766996 0.75 ERN1 (0.47) ERN1TDP1PTPN1ALDH1A1KDM4E
SCHEMBL11468178 0.71 SLC6A4 (0.50) OPRM1PDE7AALDH1A1SLC6A4SLC6A3
SCHEMBL31454435 0.71 OPRM1 (0.38) OPRM1OTUD7BPDE7AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10244757-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-20190029255-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-31 US disclosed
EP-3077378-B1 N-CYCLOPROPYL-N-{[2-(1-SUBSTITUTEDCYCLOPROPYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-11-07 EP disclosed
US-10071967-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-11 US disclosed
US-10070645-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-11 US disclosed
US-20160326120-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-10 US disclosed
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3077377-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-10-12 EP disclosed
EP-3077378-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-10-12 EP disclosed
WO-2015082586-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-06-11 WO disclosed
WO-2015082587-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-06-11 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 (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-10070645-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP ERN1 2283/4885TDP1 2313/4885OPRM1 4435/4885
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 ERN1 2643/4885TDP1 2633/4885OPRM1 4568/4885
US-10071967-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP ERN1 2283/4885TDP1 2313/4885OPRM1 4435/4885
US-20160326120-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 ERN1 2557/4885TDP1 2458/4885OPRM1 4568/4885
US-10244757-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP ERN1 2283/4885TDP1 2313/4885OPRM1 4435/4885
US-20190029255-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NAT1, NANP ERN1 2307/4885TDP1 2199/4885OPRM1 4321/4885

“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.