SCHEMBL4943041

SCHEMBL4943041

O=CCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2ccccc2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.48
TACR1 P25103 6/20 0.46
TACR3 P29371 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
PKM P14618 1/20 0.42
CCR5 P51681 1/20 0.40

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
SCHEMBL4631196 0.86 TACR2 (0.51) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL14028100 0.86 SLC6A4 (0.42) PKM
SCHEMBL4630712 0.85 TACR2 (0.59) TACR2CYP3A4CYP2D6CHRM2CHRM3
SCHEMBL4942393 0.85 P2RX7 (0.39) TACR2
SCHEMBL4630890 0.84 TACR2 (0.49) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6999695 0.84 TACR2 (0.49) TACR2TACR1TACR3
SCHEMBL4631761 0.82 TACR2 (0.49) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4941176 0.82 KDM4E (0.43) TACR2
SCHEMBL4630697 0.81 TACR2 (0.50) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6947952 0.81 TACR2 (0.61) TACR2TACR1TACR3CYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1395582-B1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-05-04 EP disclosed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
EP-1395582-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-03-10 EP disclosed
WO-2002094821-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-28 WO 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 (2 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-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TACR2, TACR1, KIT TACR2 1/4885TACR1 2/4885TACR3 73/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 TACR2 2/4885TACR1 4/4885TACR3 80/4885

“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.