SCHEMBL344929

SCHEMBL344929

O=C(O)NCCC1CN(c2nccc(C(F)(F)F)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.56
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
ACACB O00763 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
ADRB1 P08588 1/20 0.45
PKM P14618 2/20 0.45
SLC6A7 Q99884 1/20 0.45
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RBP4 P02753 2/20 0.41

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
SCHEMBL2324834 0.90 CHRM4 (0.68) CHRM4CHRM2CHRM3ACACBGPBAR1
SCHEMBL2359980 0.83 CHRM4 (0.61) CHRM4CHRM2CHRM3ACACBGPBAR1
SCHEMBL1728756 0.79 CHRM4 (0.59) CHRM4CHRM2CHRM3ACACBGPBAR1
SCHEMBL345329 0.79 ADRB1 (0.52) CHRM4ACACBHCRTR1HCRTR2ADRB1
SCHEMBL346205 0.78 ACACB (0.44) CHRM4CHRM2CHRM3ACACBHCRTR1
SCHEMBL2326691 0.76 ADRB1 (0.48) CHRM4CHRM2CHRM3GPBAR1ADRB1
SCHEMBL13059864 0.76 ADRB1 (0.55) ACACBHCRTR1HCRTR2ADRB1PKM
SCHEMBL343966 0.76 ADRB1 (0.47) CHRM4CHRM2CHRM3ACACBGPBAR1
SCHEMBL2327987 0.76 CHRM4 (0.42) CHRM4CHRM2CHRM3ACACBGPBAR1
SCHEMBL15662240 0.75 CHRM4 (0.44) CHRM4CHRM2CHRM3GPBAR1PKM

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
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
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
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 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 CHRM4 1210/4885CHRM2 669/4885CHRM3 566/4885

“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.