SCHEMBL514010

SCHEMBL514010

CCC(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 1/20 0.42
GPR119 Q8TDV5 5/20 0.41
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 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
SCHEMBL3562825 0.89 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119NR1H2
SCHEMBL9901406 0.82 USP2 (0.47) USP2SMN1; SMN2CTSKGPR119NR1H2
SCHEMBL14823742 0.81 USP2 (0.46) USP2SMN1; SMN2CTSKGPR119NR1H2
SCHEMBL3559112 0.79 USP2 (0.45) USP2SMN1; SMN2CTSKGPR119NR1H2
SCHEMBL14823916 0.79 HPGD (0.46) USP2SMN1; SMN2GPR119MEN1ALDH1A1
SCHEMBL344971 0.79 MEN1 (0.54) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL17886653 0.78 USP2 (0.44) USP2SMN1; SMN2CTSKGPR119NR1H2
SCHEMBL14281684 0.78 USP2 (0.46) USP2SMN1; SMN2GPR119NR1H2MEN1
SCHEMBL3555453 0.77 CHRM2 (0.43) SMN1; SMN2GPR119MEN1ALDH1A1KMT2A
SCHEMBL16565496 0.77 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 USP2 3153/4885SMN1; SMN2 411/4885CTSK 3503/4885

“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.