SCHEMBL4019280

SCHEMBL4019280

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
PAK1 Q13153 8/20 0.48
CNR1 P21554 4/20 0.47
MAP3K5 Q99683 2/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
CNR2 P34972 2/20 0.46
MAP3K6 O95382 1/20 0.43
PDGFRB P09619 1/20 0.42
AKT1 P31749 1/20 0.42
BTK Q06187 1/20 0.41

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
SCHEMBL4018993 0.93 CYP1A2 (0.53) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4016285 0.90 CNR1 (0.58) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4022769 0.89 CYP1A2 (0.55) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4023244 0.89 CNR1 (0.57) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4022779 0.89 CYP1A2 (0.54) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4582099 0.86 CYP1A2 (0.52) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4018106 0.86 CNR1 (0.58) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4024048 0.85 ALDH1A1 (0.56)
SCHEMBL4019432 0.85 CNR1 (0.57) CYP1A2CYP2D6PAK1CNR1MAP3K5
SCHEMBL4021683 0.85 CYP1A2 (0.55) CYP1A2CYP2D6PAK1CNR1MAP3K5

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 8 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
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
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
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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 (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 CYP1A2 72/4885CYP2D6 302/4885PAK1 1977/4885

“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.