SCHEMBL6326732

SCHEMBL6326732

O=Cc1ccccc1CC1CCC(=O)N(c2c(Cl)cccc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.34
EED O75530 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL6335428 0.89 P2RX7 (0.39) P2RX7CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6335486 0.84 EED (0.43) P2RX7EEDCYP3A4CYP2D6CYP2C9
SCHEMBL6326125 0.84 ALDH1A1 (0.41) P2RX7CYP2D6KMT2AMEN1
SCHEMBL6328756 0.84 P2RX7 (0.36) P2RX7CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6335791 0.84 PNMT (0.37) P2RX7CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6326208 0.83 PNMT (0.36) P2RX7CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6328571 0.83 MEN1 (0.37) P2RX7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6328576 0.83 MEN1 (0.37) P2RX7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6328422 0.81 DPP4 (0.40) P2RX7CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6330593 0.81 CYP2D6 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A

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 P2RX7 2638/4885EED 3441/4885CYP3A4 4535/4885

“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.