SCHEMBL4017530

SCHEMBL4017530

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
PAK1 Q13153 2/20 0.45
DRD4 P21917 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 3/20 0.43
PDE4D Q08499 2/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
GRM5 P41594 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
SCHEMBL4023469 0.93 DRD2 (0.44) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4583304 0.93 CNR1 (0.53) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4018334 0.89 TAS1R3 (0.46) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4018789 0.88 DRD2 (0.44) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4022758 0.88 CNR1 (0.49) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4019718 0.87 CNR1 (0.47) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4020834 0.87 PAK1 (0.60) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4024310 0.87 MEN1 (0.62) CNR1CNR2MEN1KMT2APAK1
SCHEMBL4023745 0.86 CNR1 (0.54) CNR1CNR2MEN1KMT2ACCNE1
SCHEMBL4017656 0.86 MEN1 (0.51) MEN1KMT2ACCNE1CDK2PAK1

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 CNR1 23/4885CNR2 13/4885MEN1 4250/4885

“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.