SCHEMBL4018928

SCHEMBL4018928

O=C(NC1CCN(c2nccc3c(F)cccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.61
P2RX7 Q99572 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
DRD4 P21917 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
MAP3K5 Q99683 2/20 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
SCHEMBL4023846 0.95 PAK1 (0.56) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4020534 0.92 PAK1 (0.65) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4014457 0.90 PAK1 (0.58) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4016325 0.88 PAK1 (0.61) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019755 0.88 PAK1 (0.58) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019291 0.86 PAK1 (0.63) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019364 0.85 PAK1 (0.68) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4019702 0.84 P2RX7 (0.54) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4024809 0.84 PAK1 (0.58) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4027518 0.84 PAK1 (0.58) PAK1P2RX7MEN1KMT2ACNR1

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 PAK1 1977/4885P2RX7 193/4885MEN1 4250/4885

“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.