SCHEMBL346205

SCHEMBL346205

CC(C)(C)N(CCC1CN(c2nccc(C(F)(F)F)n2)C1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
CHRM4 P08173 1/20 0.42
PKM P14618 1/20 0.42
SLC6A7 Q99884 1/20 0.42
ADRB1 P08588 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NR1H3 Q13133 2/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
RBP4 P02753 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KHK P50053 1/20 0.38

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
SCHEMBL344929 0.78 CHRM4 (0.56) ACACBCHRM2CHRM3HCRTR1HCRTR2
SCHEMBL345329 0.75 ADRB1 (0.52) ACACBHCRTR1HCRTR2CHRM4PKM
SCHEMBL13059864 0.75 ADRB1 (0.55) ACACBHCRTR1HCRTR2PKMSLC6A7
SCHEMBL344848 0.75 ACACB (0.38) ACACBCHRM2CHRM3HCRTR1HCRTR2
SCHEMBL345044 0.75 HCRTR1 (0.37) ACACBCHRM2CHRM3HCRTR1HCRTR2
SCHEMBL2330983 0.73 ADRB1 (0.53) ACACBCHRM2CHRM3CHRM4PKM
SCHEMBL2330479 0.73 ADRB1 (0.53) ACACBCHRM2CHRM3CHRM4PKM
SCHEMBL19652219 0.70 ACACB (0.48) ACACBCHRM2CHRM3HCRTR1HCRTR2
SCHEMBL19658500 0.70 ACACB (0.49) ACACBCHRM2CHRM3HCRTR1HCRTR2
SCHEMBL14958775 0.69 ADRB1 (0.43) ACACBHCRTR1HCRTR2ADRB1DPP4

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 ACACB 4437/4885CHRM2 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.