SCHEMBL4021868

SCHEMBL4021868

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
SUV39H1 O43463 2/20 0.49
PRMT1 Q99873 2/20 0.49
SMYD3 Q9H7B4 2/20 0.49
PAK1 Q13153 9/20 0.48
PDGFRB P09619 2/20 0.45
MAP3K6 O95382 1/20 0.44
MAP3K5 Q99683 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.43
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 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
SCHEMBL4017525 0.91 CYP1A2 (0.49) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4021683 0.87 CYP1A2 (0.55) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4024856 0.86 PAK1 (0.67) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4024378 0.84 CYP1A2 (0.57) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4024461 0.84 ALDH1A1 (0.60)
SCHEMBL4024568 0.84 PAK1 (0.68) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4017884 0.84 PAK1 (0.63) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4020884 0.84 PAK1 (0.63) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4023489 0.84 CYP1A2 (0.56) CYP1A2CYP2D6SUV39H1PRMT1SMYD3
SCHEMBL4018112 0.83 DRD2 (0.44) PAK1MAP3K6MAP3K5

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 302/4885SUV39H1 4045/4885

“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.