SCHEMBL346095

SCHEMBL346095

CC(C)c1nc(CC(NC(=O)O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.44
CETP P11597 1/20 0.42
CHRM4 P08173 1/20 0.41
RBP4 P02753 1/20 0.41
PKM P14618 2/20 0.39
SLC6A7 Q99884 1/20 0.39
OGA O60502 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR2 P41597 1/20 0.38
CCR5 P51681 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL346096 0.78 CHRM4 (0.43) ACACBCETPCHRM4RBP4PKM
SCHEMBL345636 0.78 HTR7 (0.41) ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL345160 0.75 MEN1 (0.36) PKMALDH1A1MEN1LMNATSHR
SCHEMBL2328007 0.70 ADRB1 (0.54) ACACBCHRM4RBP4PKMSLC6A7
SCHEMBL1728756 0.69 CHRM4 (0.59) ACACBCETPCHRM4RBP4PKM
SCHEMBL2324834 0.69 CHRM4 (0.68) ACACBCETPCHRM4RBP4PKM
SCHEMBL2330479 0.69 ADRB1 (0.53) ACACBCHRM4RBP4PKMSLC6A7
SCHEMBL895533 0.69 KDM4E (0.60) ACACBCHRM4RBP4PKMSLC6A7
SCHEMBL13485751 0.68 CHRM4 (0.59) ACACBCHRM4RBP4PKMSLC6A7
SCHEMBL345642 0.68 HDAC6 (0.38) ACACBCETPCHRM4RBP4PKM

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 4437/4885CETP 3966/4885CHRM4 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.