SCHEMBL4582908

SCHEMBL4582908

N#Cc1cccc(C(=O)NC2CCN(c3nccc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
ADRA2A P08913 1/20 0.44
MCHR1 Q99705 1/20 0.44
GPR6 P46095 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PAK1 Q13153 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 1/20 0.42
F10 P00742 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAP3K6 O95382 1/20 0.42
MAP3K5 Q99683 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
DRD4 P21917 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
SCHEMBL4023546 0.86 KMT2A (0.51) GRM5CCNE1CDK2ADRA2AMCHR1
SCHEMBL4024535 0.86 CCNE1 (0.54) GRM5CCNE1CDK2L3MBTL1NPC1
SCHEMBL4584820 0.86 CCNE1 (0.57) GRM5CCNE1CDK2MCHR1PAK1
SCHEMBL4021891 0.86 SUV39H1 (0.52) GRM5ADRA2AMCHR1L3MBTL1PAK1
SCHEMBL4018937 0.85 ALDH1A1 (0.52) GRM5
SCHEMBL4582190 0.84 CCNE1 (0.50) GRM5CCNE1CDK2MCHR1L3MBTL1
SCHEMBL4015998 0.83 CCNE1 (0.47) CCNE1CDK2ADRA2AMCHR1L3MBTL1
SCHEMBL4018132 0.82 CNR1 (0.53) CCNE1CDK2MCHR1PAK1MAP3K6
SCHEMBL4018449 0.81 PAK1 (0.56) GPR6PAK1DRD4PRKAA2
SCHEMBL4016296 0.81 PAK1 (0.56) GRM5CCNE1CDK2MCHR1PAK1

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 4 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
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 GRM5 383/4885CCNE1 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.