SCHEMBL346018

SCHEMBL346018

CCC1(CCN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DPP4 P27487 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NR1H2 P55055 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3963649 0.92 USP2 (0.42) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL21148250 0.88 USP2 (0.46) USP2SMN1; SMN2HPGDEPHX2OPRD1
SCHEMBL23033334 0.88 USP2 (0.46) USP2SMN1; SMN2DPP4HPGDEPHX2
SCHEMBL25630169 0.88 USP2 (0.51) USP2SMN1; SMN2HPGDEPHX2OPRD1
SCHEMBL345212 0.85 USP2 (0.41) USP2SMN1; SMN2DPP4HPGDEPHX2
SCHEMBL18481419 0.84 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL12884306 0.83 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2OPRD1
SCHEMBL18418212 0.83 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2OPRD1
SCHEMBL18309957 0.82 USP2 (0.41) USP2SMN1; SMN2HPGDOPRD1OPRK1
SCHEMBL345260 0.82 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216291-B Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof 赛诺菲-安万特 2016-08-03 CN disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
CN-102216291-A Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof SANOFI AVENTIS 2011-10-12 CN 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 USP2 4583/4885SMN1; SMN2 3115/4885CHRM2 669/4885

“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.