SCHEMBL3296756

SCHEMBL3296756

Cc1c(C(=O)C2(c3ccccc3)CC2)c2cccc(Cl)c2n1CCCNS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
TRPV4 Q9HBA0 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CCR1 P32246 8/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CG P48736 1/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL3296904 0.96 CNR2 (0.41) CNR2TRPV4TLR7CCR1PIK3CD
SCHEMBL3301795 0.96 CNR2 (0.42) CNR2TRPV4TLR7CCR1PIK3CD
SCHEMBL3303465 0.85 CNR2 (0.39) CNR2TRPV4TLR7CCR1TDP1
SCHEMBL5660343 0.84 MEN1 (0.42) CNR2TRPV4TLR7PIK3CDPIK3R2
SCHEMBL476592 0.79 CNR2 (0.56) CNR2TRPV4CNR1TDP1
SCHEMBL476654 0.79 P2RX7 (0.38) CNR2TRPV4
SCHEMBL476601 0.78 CNR2 (0.38) CNR2TRPV4TLR7PIK3CDPIK3R2
SCHEMBL476545 0.78 CNR2 (0.51) CNR2TRPV4CNR1TDP1
SCHEMBL5656902 0.77 CNR2 (0.46) CNR2CNR1
SCHEMBL5657653 0.77 CNR2 (0.42) CNR2TLR7CNR1TDP1

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
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP claimed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
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 CNR2 31/4885TRPV4 4134/4885TLR7 924/4885

“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.