SCHEMBL6328422

SCHEMBL6328422

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
CYP3A4 P08684 2/20 0.40
P2RX7 Q99572 1/20 0.39
PGR P06401 9/20 0.38
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 1/20 0.35
TACR1 P25103 1/20 0.34

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) CYP3A4P2RX7CYP2C9ALDH1A1TSHR
SCHEMBL6335486 0.82 EED (0.43) CYP3A4P2RX7PGRCYP2C9ALDH1A1
SCHEMBL6326125 0.82 ALDH1A1 (0.41) P2RX7ALDH1A1CYP2D6
SCHEMBL6328756 0.82 P2RX7 (0.36) CYP3A4P2RX7CYP2C9TSHRCYP2D6
SCHEMBL6335791 0.82 PNMT (0.37) DPP4CYP3A4P2RX7CYP2C9TSHR
SCHEMBL6326732 0.81 P2RX7 (0.34) CYP3A4P2RX7CYP2C9TSHRCYP2D6
Hydrochloric Acid SCHEMBL6326208 0.81 PNMT (0.36) DPP4CYP3A4P2RX7CYP2C9TSHR
SCHEMBL6330593 0.80 CYP2D6 (0.43) CYP3A4CYP2C9CYP2D6
SCHEMBL6326202 0.79 CYP2C9 (0.43) CYP2C9ALDH1A1LMNASMN1; SMN2
SCHEMBL6329192 0.77 CYP2D6 (0.34) CYP3A4P2RX7CYP2C9TSHRCYP2D6

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 DPP4 3550/4885CYP3A4 4535/4885P2RX7 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.