SCHEMBL3340264

SCHEMBL3340264

[C-]#[N+]C1(C(=O)OCC)Cc2ccc(F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CXCR5 P32302 8/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL13328349 0.86 OPRM1 (0.36) OPRM1CXCR5ALDH1A1BRD4MEN1
SCHEMBL3498263 0.84 ALDH1A1 (0.36) OPRM1ALDH1A1TSHRLMNABRD4
SCHEMBL3309906 0.83 BRD4 (0.48) OPRM1ALDH1A1TSHRLMNABRD4
SCHEMBL30801479 0.83 BRD4 (0.48) OPRM1ALDH1A1TSHRLMNABRD4
SCHEMBL16595774 0.82 OPRM1 (0.46) OPRM1CXCR5ADRA2AADRA2BADRA2C
SCHEMBL15354392 0.81 BRD4 (0.49) OPRM1CXCR5ADRA2AADRA2BADRA2C
SCHEMBL3305558 0.80 OPRM1 (0.44) OPRM1CXCR5ADRA2AADRA2BADRA2C
SCHEMBL3305054 0.80 OPRM1 (0.35) OPRM1CXCR5ALDH1A1BRD4MEN1
SCHEMBL28764543 0.71 OPRM1 (0.42) OPRM1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3499676 0.70 OPRM1 (0.43) OPRM1ALDH1A1LMNAMEN1KMT2A

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 6 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-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
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 OPRM1 619/4885CXCR5 1/4885ADRA2A 1226/4885

“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.