SCHEMBL4022779

SCHEMBL4022779

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CNR1 P21554 6/20 0.51
PAK1 Q13153 6/20 0.49
MAP3K5 Q99683 2/20 0.49
AKT1 P31749 1/20 0.48
CNR2 P34972 3/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
MAP3K6 O95382 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 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 0.94 CNR1 (0.51) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4016285 0.93 CNR1 (0.58) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4022769 0.91 CYP1A2 (0.55) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4018106 0.91 CNR1 (0.58) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4023244 0.90 CNR1 (0.57) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4019280 0.89 CYP1A2 (0.54) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4017884 0.88 PAK1 (0.63) CYP1A2CYP2D6CNR1PAK1AKT1
SCHEMBL4021683 0.87 CYP1A2 (0.55) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4018993 0.87 CYP1A2 (0.53) CYP1A2CYP2D6CNR1PAK1MAP3K5
SCHEMBL4023489 0.86 CYP1A2 (0.56) CYP1A2CYP2D6CNR1PAK1MAP3K5

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 CYP1A2 72/4885CYP2D6 302/4885CNR1 23/4885

“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.