SCHEMBL476630

SCHEMBL476630

Cc1ccc2c(C(=O)CC(C)(C)C)c(C)n(CCCNS(C)(=O)=O)c2c1Br

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
CNR2 P34972 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
PLK1 P53350 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL476652 0.86 CNR2 (0.38) TRPV4CNR2TDP1TLR7
SCHEMBL476601 0.82 CNR2 (0.38) TRPV4CNR2TDP1TLR7
SCHEMBL3297989 0.81 CNR2 (0.35) TRPV4CNR2TDP1TLR7
SCHEMBL476644 0.81 CNR2 (0.49) CNR2TDP1ALDH1A1
SCHEMBL476689 0.81 CNR2 (0.39) TRPV4CNR2TDP1PLK1ALDH1A1
SCHEMBL476586 0.79 CNR2 (0.48) CNR2
SCHEMBL3816120 0.78 HTR3E (0.34) TRPV4CNR2TDP1ALDH1A1
SCHEMBL3811693 0.72 CNR2 (0.56) CNR2
SCHEMBL476631 0.72 CNR2 (0.52) TRPV4CNR2TDP1
SCHEMBL476609 0.71 CNR2 (0.56) TRPV4CNR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP claimed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 TRPV4 4134/4885CNR2 31/4885TDP1 2098/4885

“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.