SCHEMBL3309906

SCHEMBL3309906

[C-]#[N+]C1(C(=O)OCC)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
OPRM1 P35372 6/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL30801479 1.00 BRD4 (0.48) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL3340264 0.83 OPRM1 (0.41) BRD4OPRM1TSHRLMNAALDH1A1
SCHEMBL3498263 0.83 ALDH1A1 (0.36) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL13328349 0.82 OPRM1 (0.36) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL3305054 0.78 OPRM1 (0.35) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7301462 0.78 BRD4 (0.54) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL16836131 0.77 BRD4 (0.52) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL21142455 0.77 BRD4 (0.68) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10456670 0.76 ALDH1A1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3306445 0.76 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1

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
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO 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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 BRD4 704/4885OPRM1 619/4885OPRD1 387/4885

“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.