SCHEMBL345044

SCHEMBL345044

NC(=O)c1cc(CN(CCC2CN(c3nccc(C(F)(F)F)n3)C2)C(=O)O)on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CHRM4 P08173 1/20 0.37
NR1H3 Q13133 1/20 0.37
PARP1 P09874 1/20 0.37
ACACB O00763 2/20 0.36
PKM P14618 1/20 0.36
SLC6A7 Q99884 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
NR1H2 P55055 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ADRB1 P08588 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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 0.92 CHRM4 (0.45) CHRM4NR1H3PARP1ACACBPKM
SCHEMBL344848 0.89 ACACB (0.38) HCRTR1HCRTR2CHRM4ACACBPKM
SCHEMBL344770 0.84 CHRM4 (0.44) CHRM4ACACBPKMSLC6A7CHRM2
SCHEMBL345182 0.82 CHRM4 (0.45) CHRM4ACACBPKMSLC6A7CHRM2
SCHEMBL344438 0.78 PKM (0.42) HCRTR1HCRTR2CHRM4NR1H3PARP1
SCHEMBL9994539 0.77 PARP1 (0.41) CHRM4NR1H3PARP1PKMSLC6A7
SCHEMBL9993057 0.77 ADRB1 (0.39) CHRM4NR1H3PARP1PKMSLC6A7
SCHEMBL346205 0.75 ACACB (0.44) HCRTR1HCRTR2CHRM4NR1H3ACACB
SCHEMBL343821 0.74 ACACB (0.34) CHRM4NR1H3ACACBPKMSLC6A7
SCHEMBL345630 0.73 PKM (0.36) CHRM4PARP1ACACBPKMSLC6A7

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 HCRTR1 382/4885HCRTR2 359/4885CHRM4 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.