SCHEMBL6330655

SCHEMBL6330655

CCc1ccc(CC2CCC(=O)N(c3c(Cl)cccc3Cl)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
P2RX7 Q99572 7/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ACLY P53396 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK14 Q16539 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL6336615 0.89 MEN1 (0.40) KMT2ANOTUMP2RX7ACLYCYP2C9
SCHEMBL6326202 0.88 CYP2C9 (0.43) KMT2AACLYCYP2C9CYP2C19HTR2B
SCHEMBL6327832 0.88 HCRTR2 (0.40) CYP2C9CYP2C19MAPK14HCRTR1HCRTR2
SCHEMBL6326541 0.84 CHRM5 (0.46) KMT2AP2RX7HCRTR1HCRTR2
SCHEMBL6326756 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL6329277 0.83 MEN1 (0.41) KMT2APOLB
SCHEMBL6328381 0.83 ALDH1A1 (0.46) KMT2APOLBCYP2C9CYP2C19
SCHEMBL6327828 0.82 HCRTR1 (0.40) KMT2AACLYHCRTR1HCRTR2
SCHEMBL6333276 0.81 KMT2A (0.34) KMT2ANOTUMP2RX7ACLYCYP2C9
SCHEMBL6335428 0.81 P2RX7 (0.39) KMT2AP2RX7CYP2C9CYP2C19

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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US claimed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP claimed
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient MAPKAP1, MAPK1, MAPK8 KMT2A 2311/4885NOTUM 4022/4885P2RX7 2638/4885

“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.