SCHEMBL4016296

SCHEMBL4016296

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.56
CCNE1 P24864 10/20 0.54
CDK2 P24941 10/20 0.54
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCND3 P30281 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK6 Q00534 1/20 0.48
CCR3 P51677 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
MCHR1 Q99705 2/20 0.46
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL4016437 0.92 CCNE1 (0.49) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4018132 0.91 CNR1 (0.53) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4023337 0.90 PAK1 (0.56) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4018357 0.89 CNR1 (0.49) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4019718 0.88 CNR1 (0.47) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4023745 0.87 CNR1 (0.54) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4022674 0.87 CCNE1 (0.45) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4018789 0.85 DRD2 (0.44) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4583304 0.84 CNR1 (0.53) PAK1CCNE1CDK2CNR1CNR2
SCHEMBL4023469 0.84 DRD2 (0.44) PAK1CCNE1CDK2CNR1CNR2

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
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
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 PAK1 1977/4885CCNE1 3709/4885CDK2 1045/4885

“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.