SCHEMBL4019432

SCHEMBL4019432

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.57
CNR2 P34972 2/20 0.57
SUV39H1 O43463 2/20 0.56
PRMT1 Q99873 2/20 0.56
SMYD3 Q9H7B4 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
PAK1 Q13153 8/20 0.52
RPS6KB1 P23443 1/20 0.49
MAP3K6 O95382 1/20 0.47
MAP3K5 Q99683 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
AR P10275 1/20 0.44
MCHR1 Q99705 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL4023238 0.93 CNR1 (0.51) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4017884 0.91 PAK1 (0.63) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4023489 0.89 CYP1A2 (0.56) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4022769 0.88 CYP1A2 (0.55) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4024378 0.88 CYP1A2 (0.57) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4020884 0.87 PAK1 (0.63) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4021683 0.86 CYP1A2 (0.55) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4019280 0.85 CYP1A2 (0.54) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4023244 0.85 CNR1 (0.57) CNR1CNR2SUV39H1PRMT1SMYD3
SCHEMBL4022779 0.85 CYP1A2 (0.54) CNR1CNR2SUV39H1PRMT1SMYD3

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 CNR1 23/4885CNR2 13/4885SUV39H1 4045/4885

“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.