SCHEMBL4024310

SCHEMBL4024310

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PAK1 Q13153 4/20 0.59
SLC6A12 P48065 1/20 0.48
DRD4 P21917 3/20 0.47
CNR1 P21554 3/20 0.47
CNR2 P34972 2/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4020834 0.92 PAK1 (0.60) MEN1KMT2APAK1SLC6A12DRD4
SCHEMBL4583304 0.90 CNR1 (0.53) MEN1KMT2APAK1DRD4CNR1
SCHEMBL4582680 0.90 MEN1 (0.49) MEN1KMT2APAK1SLC6A12DRD4
SCHEMBL4016096 0.90 MEN1 (0.49) MEN1KMT2APAK1SLC6A12DRD4
SCHEMBL4017656 0.89 MEN1 (0.51) MEN1KMT2APAK1SLC6A12DRD4
SCHEMBL4018446 0.87 PAK1 (0.49) MEN1KMT2APAK1DRD4CNR1
SCHEMBL4017530 0.87 CNR1 (0.46) MEN1KMT2APAK1DRD4CNR1
SCHEMBL4018112 0.86 DRD2 (0.44) MEN1KMT2APAK1SLC6A12DRD2
SCHEMBL4022758 0.85 CNR1 (0.49) MEN1KMT2APAK1DRD4CNR1
SCHEMBL4584564 0.85 MCHR1 (0.51) MEN1KMT2APAK1DRD4DRD2

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 MEN1 4250/4885KMT2A 1915/4885PAK1 1977/4885

“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.