SCHEMBL4015405

SCHEMBL4015405

O=C(NC1CCN(c2nccc3cc(Br)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.58
P2RX7 Q99572 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD4 P21917 4/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL4018508 0.95 PAK1 (0.53) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4020834 0.91 PAK1 (0.60) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4027518 0.89 PAK1 (0.58) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4019291 0.88 PAK1 (0.63) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4017222 0.87 PAK1 (0.56) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4024515 0.86 PAK1 (0.56) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4018449 0.86 PAK1 (0.56) PAK1P2RX7KMT2AMEN1CYP1A2
SCHEMBL4024830 0.86 PAK1 (0.56) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4582833 0.86 PAK1 (0.55) PAK1P2RX7KMT2AMEN1DRD4
SCHEMBL4019707 0.86 PAK1 (0.55) PAK1P2RX7KMT2AMEN1CYP1A2

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 193/4885KMT2A 1915/4885

“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.