SCHEMBL4017646

SCHEMBL4017646

COc1cccc(C(=O)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
PAK1 Q13153 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
SUV39H1 O43463 1/20 0.50
PRMT1 Q99873 1/20 0.50
SMYD3 Q9H7B4 1/20 0.50
MCHR1 Q99705 2/20 0.48
PDGFRB P09619 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR3 P51677 1/20 0.46
CXCR6 O00574 1/20 0.46

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
SCHEMBL4016242 0.96 CCNE1 (0.51) GRM5PAK1ALDH1A1TSHRCCNE1
SCHEMBL4021963 0.91 CYP1A2 (0.49) GRM5PAK1ALDH1A1TSHRCCNE1
SCHEMBL4024378 0.90 CYP1A2 (0.57) GRM5PAK1CCNE1CDK2CYP1A2
SCHEMBL4023998 0.88 CYP1A2 (0.53) PAK1ALDH1A1CCNE1CDK2CYP1A2
SCHEMBL4017654 0.88 SMYD3 (0.55) GRM5PAK1CCNE1CDK2CYP1A2
SCHEMBL4018805 0.86 CCNE1 (0.56) GRM5ALDH1A1TSHRCCNE1CDK2
SCHEMBL4022823 0.86 CYP1A2 (0.53) PAK1CCNE1CDK2CYP1A2CYP2D6
SCHEMBL4021891 0.86 SUV39H1 (0.52) GRM5PAK1CYP1A2CYP2D6SUV39H1
SCHEMBL4584820 0.86 CCNE1 (0.57) GRM5PAK1ALDH1A1TSHRCCNE1
SCHEMBL9966968 0.84 PAK1 (0.59) PAK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP 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 (1 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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 GRM5 383/4885PAK1 1977/4885ALDH1A1 1165/4885

“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.