SCHEMBL344848

SCHEMBL344848

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRM4 P08173 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RBP4 P02753 1/20 0.36
PKM P14618 1/20 0.35
SLC6A7 Q99884 1/20 0.35
PPARG P37231 6/20 0.34
PPARA Q07869 5/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CETP P11597 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
P2RX7 Q99572 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
SCHEMBL345182 0.93 CHRM4 (0.45) ACACBCHRM2CHRM3CHRM4RBP4
SCHEMBL345044 0.89 HCRTR1 (0.37) ACACBCHRM2CHRM3CHRM4HCRTR1
SCHEMBL343821 0.85 ACACB (0.34) ACACBCHRM2CHRM3CHRM4DPP4
SCHEMBL345792 0.84 PKM (0.36) CHRM2CHRM3CHRM4RBP4PKM
SCHEMBL345630 0.84 PKM (0.36) ACACBCHRM2CHRM3CHRM4PKM
SCHEMBL344770 0.84 CHRM4 (0.44) ACACBCHRM2CHRM3CHRM4RBP4
SCHEMBL345257 0.83 PKM (0.35) ACACBCHRM2CHRM3CHRM4PKM
SCHEMBL345643 0.82 HDAC6 (0.38) ACACBCHRM2CHRM3CHRM4PKM
SCHEMBL346219 0.82 CHRM4 (0.45) ACACBCHRM2CHRM3CHRM4RBP4
SCHEMBL345166 0.82 CHRM4 (0.43) ACACBCHRM2CHRM3CHRM4RBP4

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.