SCHEMBL346096

SCHEMBL346096

CC(C)c1nc(CN(CC2CCN(c3nccc(C(F)(F)F)n3)CC2)C(=O)O)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.43
CETP P11597 1/20 0.42
ACACB O00763 3/20 0.40
RBP4 P02753 2/20 0.39
PKM P14618 2/20 0.39
SLC6A7 Q99884 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRB1 P08588 1/20 0.39
KDM4E B2RXH2 1/20 0.37
OGA O60502 1/20 0.37
CCR2 P41597 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
TTR P02766 1/20 0.36
LCAT P04180 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL345705 0.79 SORD (0.41) ACACBKCNH2
SCHEMBL1730253 0.78 CHRM4 (0.49) CHRM4CETPACACBRBP4PKM
SCHEMBL346095 0.78 ACACB (0.44) CHRM4CETPACACBRBP4PKM
SCHEMBL345635 0.77 HTR7 (0.40) KMT2A
SCHEMBL344770 0.73 CHRM4 (0.44) CHRM4CETPACACBRBP4PKM
SCHEMBL346219 0.73 CHRM4 (0.45) CHRM4CETPACACBRBP4PKM
SCHEMBL345182 0.73 CHRM4 (0.45) CHRM4CETPACACBRBP4PKM
SCHEMBL2330983 0.71 ADRB1 (0.53) CHRM4ACACBRBP4PKMSLC6A7
SCHEMBL2330479 0.71 ADRB1 (0.53) CHRM4ACACBRBP4PKMSLC6A7
SCHEMBL345166 0.69 CHRM4 (0.43) CHRM4CETPACACBRBP4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US 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 1210/4885CETP 3966/4885ACACB 4437/4885

“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.