SCHEMBL16767591

SCHEMBL16767591

CCCC1(c2ccc(C)cc2CNC2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 2/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
ACHE P22303 1/20 0.32
SLC2A1 P11166 1/20 0.32
PABPC1 P11940 1/20 0.32
KDM1A O60341 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16767373 0.89 OPRM1 (0.33) MEN1KMT2ABACE1KCNH2KDM4E
SCHEMBL28081431 0.84 KDM1A (0.39) BACE1KCNH2KDM4EPKMOPRM1
SCHEMBL16767080 0.83 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL16766974 0.83 ADRB2 (0.33) BACE1KCNH2KDM4EPKMOPRM1
SCHEMBL16767306 0.80 OPRM1 (0.38) MEN1KMT2ABACE1KCNH2KDM4E
SCHEMBL18187489 0.79 PABPC1 (0.34) MEN1KMT2ABACE1KCNH2KDM4E
SCHEMBL16767396 0.79 BACE1 (0.36) MEN1KMT2AALDH1A1BACE1KCNH2
SCHEMBL16767620 0.78 ALDH1A1 (0.34) ALDH1A1BACE1KCNH2KDM4EPKM
SCHEMBL16767378 0.77 BCHE (0.40) ALDH1A1BACE1OPRL1ACHEKDM1A
SCHEMBL16767684 0.77 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EGAA

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 MEN1 3529/4885KMT2A 1256/4885ALDH1A1 2541/4885
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 MEN1 4051/4885KMT2A 1535/4885ALDH1A1 2775/4885
US-10071967-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP MEN1 3529/4885KMT2A 1256/4885ALDH1A1 2541/4885
US-20160326120-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 MEN1 3838/4885KMT2A 1428/4885ALDH1A1 2864/4885
US-10244757-B2 N-cycloalkyl-N-{[2-(1-substitutedcycloalkyl)phenyl]methylene}-(thio)carboxamide derivatives CBR3, NAT1, NANP MEN1 3529/4885KMT2A 1256/4885ALDH1A1 2541/4885
US-20190029255-A1 N-CYCLOALKYL-N-{[2-(1-SUBSTITUTEDCYCLOALKYL)PHENYL]METHYLENE}-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NAT1, NANP MEN1 3695/4885KMT2A 1035/4885ALDH1A1 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.