SCHEMBL4018965

SCHEMBL4018965

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
PAK1 Q13153 5/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
PDGFRB P09619 1/20 0.44
CNR1 P21554 3/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HMOX1 P09601 1/20 0.43
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
MAP3K6 O95382 1/20 0.42

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
SCHEMBL4018891 0.89 CYP1A2 (0.46) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4024856 0.88 PAK1 (0.67) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4020867 0.87 CYP1A2 (0.55) CYP1A2CYP2D6PAK1SUV39H1PRMT1
SCHEMBL4017800 0.86 PAK1 (0.55) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4023244 0.86 CNR1 (0.57) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4024568 0.86 PAK1 (0.68) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4024034 0.86 PAK1 (0.55) CYP1A2CYP2D6PAK1MEN1KMT2A
SCHEMBL4016912 0.86 ALDH1A1 (0.57) MEN1KMT2AALDH1A1IDE
SCHEMBL4017656 0.85 MEN1 (0.51) CYP1A2PAK1MEN1KMT2ACYP3A4
SCHEMBL4018926 0.85 PAK1 (0.55) CYP1A2CYP2D6PAK1MEN1KMT2A

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 CYP1A2 72/4885CYP2D6 302/4885PAK1 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.