SCHEMBL344770

SCHEMBL344770

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
RBP4 P02753 2/20 0.38
PKM P14618 2/20 0.38
SLC6A7 Q99884 1/20 0.38
CETP P11597 1/20 0.38
ADRB1 P08588 1/20 0.37
KHK P50053 1/20 0.37
TTR P02766 1/20 0.37
ACACB O00763 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LCAT P04180 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL346219 0.90 CHRM4 (0.45) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL345182 0.89 CHRM4 (0.45) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL345044 0.84 HCRTR1 (0.37) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL344848 0.84 ACACB (0.38) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL345166 0.77 CHRM4 (0.43) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL345630 0.76 PKM (0.36) CHRM4CHRM2CHRM3PKMSLC6A7
SCHEMBL345792 0.76 PKM (0.36) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL343821 0.75 ACACB (0.34) CHRM4CHRM2CHRM3RBP4PKM
SCHEMBL345257 0.75 PKM (0.35) CHRM4CHRM2CHRM3PKMSLC6A7
SCHEMBL344438 0.74 PKM (0.42) 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 1210/4885CHRM2 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.