SCHEMBL5673140

SCHEMBL5673140

Cc1c(C(=O)c2cccc(C(F)(F)F)c2F)c2ccc(Cl)c(Cl)c2n1CCCNS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.40
CNR2 P34972 9/20 0.36
CNR1 P21554 7/20 0.36
RORC P51449 2/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KAT6A Q92794 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSS P25774 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL5830574 0.81 TRPV4 (0.36) TRPV4RORCPOLBL3MBTL1HTR2A
SCHEMBL5934979 0.81 TRPV4 (0.38) TRPV4CNR2CNR1RORCKAT6A
SCHEMBL5831060 0.81 TRPV4 (0.36) TRPV4CNR2CNR1RORCPOLB
SCHEMBL5656870 0.79 KMT2A (0.40) TRPV4CNR2CNR1POLB
SCHEMBL476597 0.75 CNR2 (0.46) TRPV4CNR2CNR1RORC
SCHEMBL5675120 0.74 TDP1 (0.39) TRPV4CNR2RORCCCR1
SCHEMBL15143971 0.72 CNR2 (0.41) TRPV4CNR2CNR1SLC6A3
SCHEMBL476632 0.72 CNR2 (0.46) TRPV4CNR2
SCHEMBL5660343 0.71 MEN1 (0.42) TRPV4CNR2CNR1POLB
SCHEMBL3817863 0.71 CNR2 (0.34) TRPV4CNR2CNR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995184-B2 Such as (7-chloro-2-methyl-1-(3-(methylsulphanyl)propyl)-1H-indol-3-yl)(2,3-dichloro-phenyl)methanone; cannabinoid receptors (cb2); G proteins coupled receptors SANOFI-AVENTIS (FR) 2006-02-07 US claimed
US-7138424-B2 Indole derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2006-11-21 US disclosed
US-20060089345-A1 Indole derivatives, method for preparating same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2006-04-27 US disclosed
US-6995184-B2 Such as (7-chloro-2-methyl-1-(3-(methylsulphanyl)propyl)-1H-indol-3-yl)(2,3-dichloro-phenyl)methanone; cannabinoid receptors (cb2); G proteins coupled receptors SANOFI-AVENTIS (FR) 2006-02-07 US disclosed
EP-1507758-B1 INDOLE DERIVATIVES AND THEIR USE AS LIGANDS FOR CB2 RECEPTORS SANOFI AVENTIS (FR) 2005-11-02 EP disclosed
EP-1339679-B1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS SANOFI AVENTIS (FR) 2005-08-10 EP disclosed
EP-1507758-A2 INDOLE DERIVATIVES AND THEIR USE AS LIGANDS FOR CB2 RECEPTORS Sanofi-Aventis (FR) 2005-02-23 EP disclosed
US-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists SANOFI-AVENTIS (FR) 2004-02-19 US disclosed
WO-2003097597-A2 INDOLE DERIVATIVES AND THE USE THEREOF AS CB2 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2003-11-27 WO disclosed
EP-1339679-A1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2003-09-03 EP disclosed
WO-2002042269-A1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2002-05-30 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 (2 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-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists CNR2, CNR1, GPR52 TRPV4 193/4885CNR2 1/4885CNR1 2/4885
US-20060089345-A1 Indole derivatives, method for preparating same and pharmaceutical compositions containing same CNR2, CNR1, IDO2 TRPV4 208/4885CNR2 1/4885CNR1 2/4885

“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.