SCHEMBL4021705

SCHEMBL4021705

N#Cc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.50
P2RX7 Q99572 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD2 P14416 7/20 0.47
DRD3 P35462 7/20 0.47
HTR1A P08908 2/20 0.47
DRD4 P21917 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
IDE P14735 1/20 0.43
HTR1D P28221 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP3K5 Q99683 1/20 0.41
CYP8B1 Q9UNU6 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL4021229 0.93 KDR (0.49) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4016348 0.90 MEN1 (0.49) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4018523 0.88 ALDH1A1 (0.59) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4024025 0.87 PAK1 (0.63) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4023212 0.86 PAK1 (0.52) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4024415 0.86 PAK1 (0.52) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4018449 0.85 PAK1 (0.56) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4024845 0.85 DRD2 (0.61) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4023839 0.85 MEN1 (0.52) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4583078 0.84 KDR (0.56) PAK1P2RX7MEN1KMT2ADRD2

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 7 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
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
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US 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

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.