SCHEMBL6330593

SCHEMBL6330593

COc1ccccc1CC1CCC(=O)N(c2c(Cl)cccc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39

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 0.87 P2RX7 (0.39) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6329192 0.84 CYP2D6 (0.34) CYP2D6HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL6329188 0.83 CYP2D6 (0.35) CYP2D6HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL6328756 0.82 P2RX7 (0.36) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6335486 0.82 EED (0.43) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6326125 0.82 ALDH1A1 (0.41) CYP2D6HCRTR1HCRTR2KMT2AMEN1
SCHEMBL6335791 0.82 PNMT (0.37) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6326208 0.81 PNMT (0.36) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6326732 0.81 P2RX7 (0.34) CYP2D6KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6328422 0.80 DPP4 (0.40) CYP2D6CYP3A4CYP2C9

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 CYP2D6 4540/4885HCRTR1 3728/4885HCRTR2 3293/4885

“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.