SCHEMBL4023766

SCHEMBL4023766

O=C(NC1CCN(c2ncnc3ccc(F)cc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.66
P2RX7 Q99572 1/20 0.51
CNR1 P21554 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 2/20 0.46
PDGFRB P09619 1/20 0.46
MAP3K5 Q99683 1/20 0.45
HTT P42858 1/20 0.44
CHRM4 P08173 1/20 0.44
HPGD P15428 1/20 0.44
MALT1 Q9UDY8 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
SCHEMBL4025750 0.93 PAK1 (0.66) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4581895 0.91 PAK1 (0.68) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4021914 0.88 PAK1 (0.63) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4024042 0.88 PAK1 (0.71) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4023555 0.87 PAK1 (0.52) PAK1P2RX7CNR1CNR2PDGFRB
SCHEMBL4582674 0.86 PAK1 (0.65) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4582560 0.86 PAK1 (0.52) PAK1P2RX7MEN1KMT2AMAP3K5
SCHEMBL4018034 0.86 PAK1 (0.57) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4018426 0.85 PAK1 (0.59) PAK1P2RX7CNR1MEN1KMT2A
SCHEMBL4024809 0.85 PAK1 (0.58) PAK1P2RX7CNR1MEN1KMT2A

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 PAK1 1977/4885P2RX7 193/4885CNR1 23/4885

“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.