SCHEMBL16767140

SCHEMBL16767140

CC1(c2cc(Cl)ccc2CNC2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CXCR3 P49682 4/20 0.40
POLB P06746 2/20 0.40
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
OPRL1 P41146 1/20 0.39
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
NSD2 O96028 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
SCHEMBL16767692 0.88 BACE1 (0.40) BACE1BCHEACHECXCR3POLB
SCHEMBL16766545 0.84 BACE1 (0.37) BACE1ACHEOPRL1KCNH2HTT
SCHEMBL16767014 0.83 BCHE (0.41) BACE1BCHEACHECXCR3POLB
SCHEMBL16767453 0.82 BACE1 (0.38) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767378 0.81 BCHE (0.40) BACE1BCHEACHECXCR3POLB
SCHEMBL16767450 0.80 BCHE (0.39) BACE1BCHEACHECXCR3POLB
SCHEMBL16767685 0.78 OPRM1 (0.43) BACE1BCHEACHEPOLBOPRL1
SCHEMBL16767703 0.77 KCNH2 (0.38) BACE1OPRL1KCNH2HTT
SCHEMBL694951 0.76 BCHE (0.65) BACE1BCHEACHECXCR3POLB
SCHEMBL16767306 0.75 OPRM1 (0.38) BACE1ACHEOPRL1KCNH2HTT

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-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 2709/4885BCHE 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.