SCHEMBL345057

SCHEMBL345057

O=C(O)NCCC1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 13/20 0.57
CHRM1 P11229 4/20 0.47
CHRM2 P08172 3/20 0.47
PDE10A Q9Y233 1/20 0.46
AKR1C3 P42330 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CHRM5 P08912 3/20 0.44
CHRM3 P20309 2/20 0.44

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
SCHEMBL1727740 0.88 CKS1B (0.47) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL1728839 0.86 CHRM4 (0.52) CHRM4CHRM1CHRM2PDE10ACHRM5
SCHEMBL1728730 0.85 MAOA (0.55) CHRM4CHRM1CHRM2PDE10ACHRM5
SCHEMBL346471 0.84 CHRM4 (0.52) CHRM4CHRM1CHRM2PPARGPPARD
SCHEMBL16174444 0.83 CHRM4 (0.47) CHRM4CHRM1CHRM2PDE10AAKR1C3
SCHEMBL16174446 0.83 CHRM4 (0.47) CHRM4CHRM1CHRM2PDE10AAKR1C3
SCHEMBL1730242 0.83 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL3269077 0.82 CHRM4 (0.49) CHRM4CHRM1CHRM2PDE10AAKR1C3
SCHEMBL1711018 0.81 CHRM4 (0.57) CHRM4CHRM1CHRM2
SCHEMBL1728738 0.81 CHRM4 (0.50) CHRM4CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 US disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
EP-2344486-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-07-20 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL CHRM4 1891/4885CHRM1 1460/4885CHRM2 2124/4885
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A CHRM4 1210/4885CHRM1 308/4885CHRM2 669/4885

“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.