SCHEMBL4582680

SCHEMBL4582680

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PAK1 Q13153 3/20 0.48
DRD4 P21917 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
HMOX1 P09601 1/20 0.43
SLC6A12 P48065 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MALT1 Q9UDY8 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
SCHEMBL4022758 0.95 CNR1 (0.49) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4024310 0.90 MEN1 (0.62) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4016096 0.89 MEN1 (0.49) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4583304 0.89 CNR1 (0.53) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4020834 0.89 PAK1 (0.60) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4017656 0.87 MEN1 (0.51) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4018446 0.85 PAK1 (0.49) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4017530 0.85 CNR1 (0.46) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4017800 0.85 PAK1 (0.55) MEN1KMT2APAK1DRD4CYP1A2
SCHEMBL4023546 0.84 KMT2A (0.51) KMT2APAK1DRD4CNR1CNR2

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 4 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
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 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.