SCHEMBL4016348

SCHEMBL4016348

O=C(NC1CCN(c2ccnc3cc(C#Cc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PAK1 Q13153 2/20 0.49
DRD2 P14416 7/20 0.47
DRD3 P35462 7/20 0.47
DRD4 P21917 6/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAP3K5 Q99683 1/20 0.42
IDE P14735 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD1 P21728 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
SCHEMBL4016257 0.94 DRD2 (0.45) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4021705 0.90 PAK1 (0.50) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4583323 0.87 PAK1 (0.61) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4023839 0.87 MEN1 (0.52) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4018523 0.86 ALDH1A1 (0.59) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4019298 0.85 PAK1 (0.54) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4024845 0.85 DRD2 (0.61) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4022815 0.85 DRD2 (0.50) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4024415 0.85 PAK1 (0.52) MEN1KMT2APAK1DRD2DRD3
SCHEMBL4023212 0.85 PAK1 (0.52) MEN1KMT2APAK1DRD2DRD3

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 7 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
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 MEN1 4250/4885KMT2A 1915/4885PAK1 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.