SCHEMBL4021891

SCHEMBL4021891

N#Cc1cccc(C(=O)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUV39H1 O43463 2/20 0.52
PRMT1 Q99873 2/20 0.52
SMYD3 Q9H7B4 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PAK1 Q13153 7/20 0.48
LRRK2 Q5S007 1/20 0.47
GRM5 P41594 2/20 0.47
ADRA2A P08913 1/20 0.44
MCHR1 Q99705 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MAP3K6 O95382 1/20 0.43
MAP3K5 Q99683 1/20 0.43
JAK3 P52333 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4019784 0.94 SUV39H1 (0.47) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4024378 0.90 CYP1A2 (0.57) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4018937 0.86 ALDH1A1 (0.52) GRM5
SCHEMBL4023998 0.86 CYP1A2 (0.53) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4022823 0.86 CYP1A2 (0.53) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4582908 0.86 GRM5 (0.49) PAK1LRRK2GRM5ADRA2AMCHR1
SCHEMBL4017646 0.86 GRM5 (0.53) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4021963 0.84 CYP1A2 (0.49) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4019740 0.83 CYP1A2 (0.50) SUV39H1PRMT1SMYD3CYP1A2CYP2D6
SCHEMBL4583185 0.82 CYP1A2 (0.49) CYP1A2CYP2D6PAK1LRRK2

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 SUV39H1 4045/4885PRMT1 3464/4885SMYD3 4448/4885

“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.