SCHEMBL16767692

SCHEMBL16767692

CC1(c2ccc(Cl)cc2CNC2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 2/20 0.40
OPRL1 P41146 4/20 0.39
CXCR3 P49682 3/20 0.38
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
MAP3K14 Q99558 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
NSD2 O96028 1/20 0.34
PABPC1 P11940 1/20 0.34
OPRM1 P35372 1/20 0.34
PTH1R Q03431 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
SCHEMBL16767140 0.88 BACE1 (0.43) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767306 0.84 OPRM1 (0.38) BACE1ACHEOPRL1KCNH2HTT
SCHEMBL16767574 0.83 BACE1 (0.39) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16766978 0.82 KCNH2 (0.41) BACE1BCHEACHEOPRL1KCNH2
SCHEMBL16767611 0.82 KCNH2 (0.42) BACE1OPRL1KCNH2HTTSLC6A4
SCHEMBL16767453 0.82 BACE1 (0.38) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16766969 0.82 BCHE (0.38) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767384 0.79 POLB (0.40) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767615 0.79 BACE1 (0.38) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767465 0.79 BACE1 (0.38) BACE1BCHEACHEPOLBOPRL1

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-2015082587-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-06-11 WO disclosed
WO-2015082586-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 BACE1 2709/4885BCHE 969/4885ACHE 1721/4885
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 BACE1 2597/4885BCHE 309/4885ACHE 1072/4885
US-10071967-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP BACE1 2709/4885BCHE 969/4885ACHE 1721/4885
US-20160326120-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 BACE1 2637/4885BCHE 353/4885ACHE 1127/4885
US-10244757-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP BACE1 2709/4885BCHE 969/4885ACHE 1721/4885
US-20190029255-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NAT1, NANP BACE1 2373/4885BCHE 995/4885ACHE 1662/4885

“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.