SCHEMBL4016437

SCHEMBL4016437

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.49
CDK2 P24941 8/20 0.49
PAK1 Q13153 2/20 0.46
MCHR1 Q99705 1/20 0.46
MAP3K6 O95382 1/20 0.43
MAP3K5 Q99683 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
CCR3 P51677 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
GRIA1 P42261 1/20 0.40

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
SCHEMBL4018357 0.94 CNR1 (0.49) CCNE1CDK2PAK1MCHR1MAP3K6
SCHEMBL4016296 0.92 PAK1 (0.56) CCNE1CDK2PAK1MCHR1CNR1
SCHEMBL4022674 0.89 CCNE1 (0.45) CCNE1CDK2PAK1MAP3K6MAP3K5
SCHEMBL4018132 0.89 CNR1 (0.53) CCNE1CDK2PAK1MCHR1MAP3K6
SCHEMBL4019718 0.86 CNR1 (0.47) CCNE1CDK2PAK1MAP3K5CNR1
SCHEMBL4023337 0.86 PAK1 (0.56) CCNE1CDK2PAK1MCHR1CNR1
SCHEMBL4023745 0.85 CNR1 (0.54) CCNE1CDK2PAK1MAP3K5CNR1
SCHEMBL4018789 0.85 DRD2 (0.44) CCNE1CDK2PAK1MAP3K5CNR1
SCHEMBL4583304 0.84 CNR1 (0.53) CCNE1CDK2PAK1CNR1CNR2
SCHEMBL4023469 0.84 DRD2 (0.44) CCNE1CDK2PAK1MCHR1MAP3K5

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 CCNE1 3709/4885CDK2 1045/4885PAK1 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.