SCHEMBL345182

SCHEMBL345182

CNC(=O)c1cc(CN(CCC2CCN(c3nccc(C(F)(F)F)n3)CC2)C(=O)O)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
CETP P11597 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
RBP4 P02753 3/20 0.38
PKM P14618 2/20 0.38
SLC6A7 Q99884 1/20 0.38
ACACB O00763 2/20 0.37
ADRB1 P08588 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KHK P50053 1/20 0.36
TTR P02766 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY2R P49146 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
SCHEMBL344848 0.93 ACACB (0.38) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL344770 0.89 CHRM4 (0.44) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL346219 0.89 CHRM4 (0.45) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL345166 0.88 CHRM4 (0.43) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL345792 0.87 PKM (0.36) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL345630 0.87 PKM (0.36) CHRM4CETPCHRM2CHRM3PKM
SCHEMBL345257 0.85 PKM (0.35) CHRM4CETPCHRM2CHRM3PKM
SCHEMBL345643 0.85 HDAC6 (0.38) CHRM4CETPCHRM2CHRM3PKM
SCHEMBL343821 0.84 ACACB (0.34) CHRM4CETPCHRM2CHRM3RBP4
SCHEMBL345044 0.82 HCRTR1 (0.37) CHRM4CHRM2CHRM3RBP4PKM

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 3966/4885CHRM2 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.