SCHEMBL16767396

SCHEMBL16767396

Cc1ccc(C2(Cl)CC2)c(CNC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KCNH2 Q12809 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL16767306 0.84 OPRM1 (0.38) BACE1ACHEPABPC1OPRM1OPRL1
SCHEMBL18187489 0.82 PABPC1 (0.34) BACE1ACHEPABPC1OPRM1OPRL1
SCHEMBL16767373 0.81 OPRM1 (0.33) BACE1ACHEPABPC1OPRM1OPRL1
SCHEMBL16767684 0.80 KDM4E (0.38) ALDH1A1KDM4EMEN1GAAHTT
SCHEMBL16767648 0.79 OPRM1 (0.35) BACE1ACHEOPRM1OPRL1KCNH2
SCHEMBL16767566 0.79 BACE1 (0.34) BACE1ACHEPABPC1OPRM1OPRL1
SCHEMBL16767591 0.79 MEN1 (0.33) BACE1ACHEALDH1A1PABPC1OPRM1
SCHEMBL16767060 0.79 KDM1A (0.38) BACE1ACHEOPRM1OPRL1
SCHEMBL16767080 0.78 KDM4E (0.36) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL16766974 0.78 ADRB2 (0.33) BACE1ACHEPABPC1OPRM1OPRL1

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 12 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
CN-105873907-B N-cycloalkyl-N- { [2- (1-substituted cycloalkyl) phenyl ] methylene } - (thio) carboxamide derivatives 拜耳作物科学股份公司 2019-03-12 CN 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-10070645-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-11 US 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-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-3077378-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-10-12 EP disclosed
EP-3077377-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 2709/4885ACHE 1721/4885ALDH1A1 2541/4885
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 BACE1 2597/4885ACHE 1072/4885ALDH1A1 2775/4885
US-10071967-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP BACE1 2709/4885ACHE 1721/4885ALDH1A1 2541/4885
US-20160326120-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 BACE1 2637/4885ACHE 1127/4885ALDH1A1 2864/4885
US-10244757-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP BACE1 2709/4885ACHE 1721/4885ALDH1A1 2541/4885
US-20190029255-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NAT1, NANP BACE1 2373/4885ACHE 1662/4885ALDH1A1 2560/4885

“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.