SCHEMBL4940368

SCHEMBL4940368

O=CCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(Cl)c2Cl)CCO1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TACR3 P29371 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4941176 0.90 KDM4E (0.43) KMT2ATACR2SLC6A2SLC6A4KDM4E
SCHEMBL4942393 0.85 P2RX7 (0.39) TACR2SLC6A2SLC6A4
SCHEMBL6949126 0.84 KMT2A (0.46) KMT2ATACR2TACR1SLC6A2SLC6A4
SCHEMBL6661492 0.83 KMT2A (0.45) KMT2ATACR2TACR1SLC6A2SLC6A4
SCHEMBL6663095 0.83 KMT2A (0.45) KMT2ATACR2TACR1SLC6A2SLC6A4
SCHEMBL14028100 0.82 SLC6A4 (0.42) KMT2ASLC6A2SLC6A4
SCHEMBL6952753 0.81 KMT2A (0.43) KMT2ATACR1SLC6A2SLC6A4
SCHEMBL4941557 0.81 TACR2 (0.39) KMT2ATACR3TACR2TACR1CNR2
SCHEMBL6192006 0.80 KMT2A (0.41) KMT2ATACR3TACR2TACR1CNR2
SCHEMBL6948569 0.80 KMT2A (0.43) KMT2ATACR2TACR1SLC6A2SLC6A4

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 KMT2A 674/4885TACR3 73/4885TACR2 1/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 KMT2A 532/4885TACR3 80/4885TACR2 2/4885

“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.