SCHEMBL345345

SCHEMBL345345

O=C(O)NCCC1CCN(c2ccc3cc(F)ccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
PDE10A Q9Y233 3/20 0.49
CHRM4 P08173 3/20 0.47
PDE2A O00408 1/20 0.45
SCD O00767 3/20 0.44
CHRM2 P08172 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HTR1A P08908 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL1722961 0.92 PDE10A (0.48) HRH3PDE10ACHRM4PDE2ASCD
SCHEMBL346050 0.87 HRH3 (0.56) HRH3PDE10ACHRM4SCDHTR1A
SCHEMBL370901 0.86 SUV39H2 (0.49) HRH3PDE10ACHRM4PDE2A
SCHEMBL1729968 0.84 HRH3 (0.58) HRH3CHRM4TP53
SCHEMBL1727542 0.84 HRH3 (0.52) HRH3PDE10APDE2A
SCHEMBL1728774 0.81 HRH3 (0.55) HRH3PDE10ACHRM4PDE2ASCD
SCHEMBL1729046 0.80 CHRM4 (0.45) CHRM4SCDCHRM2
SCHEMBL345206 0.80 PDE10A (0.53) HRH3PDE10APDE2AHDAC3HDAC2
SCHEMBL2405732 0.79 PDE10A (0.40) HRH3PDE10ACHRM4PDE2ASCD
Hydrochloric Acid SCHEMBL344120 0.79 PDE10A (0.52) HRH3PDE10APDE2AHDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HRH3 50/4885PDE10A 1799/4885CHRM4 1210/4885

“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.