SCHEMBL3207905

SCHEMBL3207905

NC(=O)C1(C2CC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
ABCB11 O95342 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL812033 1.00 TSHR (0.37) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL30152476 0.93 CYP3A4 (0.42) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL30152586 0.93 CYP3A4 (0.39) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL15579618 0.93 CYP3A4 (0.42) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL29078535 0.93 CYP3A4 (0.42) TSHRCYP3A4LMNACYP1A2ABCB11
Lithium SCHEMBL5448277 0.91 CYP3A4 (0.41) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL15568763 0.91 CYP3A4 (0.37) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL1041208 0.88 CYP3A4 (0.39) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL3706334 0.88 CYP3A4 (0.34) TSHRCYP3A4LMNACYP1A2ABCB11
SCHEMBL4496703 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
US-8921575-B2 O-cyclopropylcyclohexyl-carboxanilides and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-30 US disclosed
US-20140081030-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8653114-B2 O-cyclopropylcyclohexyl-carboxanilides and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20130131124-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
EP-2576512-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
WO-2011151383-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996193-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO disclosed
WO-2007106503-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-09-20 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 (4 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-20140081030-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES CYP51A1, CBR3, POR TSHR 4321/4885CYP3A4 15/4885LMNA 3654/4885
US-20130131124-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES CYP51A1, CBR3, POR TSHR 4321/4885CYP3A4 15/4885LMNA 3654/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 TSHR 245/4885CYP3A4 252/4885LMNA 3550/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 TSHR 991/4885CYP3A4 4173/4885LMNA 4687/4885

“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.