SCHEMBL4023244

SCHEMBL4023244

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.57
CNR2 P34972 2/20 0.57
PAK1 Q13153 5/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
MAP3K5 Q99683 1/20 0.47
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
PDGFRB P09619 1/20 0.46
GRM5 P41594 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL4018106 0.95 CNR1 (0.58) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4018993 0.93 CYP1A2 (0.53) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4022779 0.90 CYP1A2 (0.54) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4024856 0.90 PAK1 (0.67) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4016285 0.90 CNR1 (0.58) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4022769 0.89 CYP1A2 (0.55) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4017800 0.89 PAK1 (0.55) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4019280 0.89 CYP1A2 (0.54) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4024034 0.89 PAK1 (0.55) CNR1CNR2PAK1CYP1A2CYP2D6
SCHEMBL4018965 0.86 CYP1A2 (0.54) CNR1CNR2PAK1CYP1A2CYP2D6

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 13/4885PAK1 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.