SCHEMBL476703

SCHEMBL476703

CSCCCn1c(C)cc2cccc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
CCR9 P51686 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CMA1 P23946 1/20 0.31
BACE1 P56817 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TP53 P04637 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
SCHEMBL5672286 0.84 CCR2 (0.37) CCR2CCR9MAPTPOLBKDM4E
SCHEMBL5672246 0.79 PRMT5 (0.38) CCR2CCR9MAPTPOLBKDM4E
SCHEMBL20853335 0.77 CASR (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL5673158 0.75 LMNA (0.44) CCR2CCR9POLBHTTKDM4E
SCHEMBL476604 0.75 RECQL (0.41) MAPTPOLBHTTMEN1ALDH1A1
SCHEMBL5673448 0.74 CMA1 (0.51) CCR2CCR9MAPTKDM4EMEN1
SCHEMBL20853011 0.73 CCR2 (0.38) CCR2CCR9HTTKDM4EMEN1
SCHEMBL20853309 0.72 CCR2 (0.37) CCR2CCR9MAPTKDM4EMEN1
SCHEMBL476711 0.71 PTGS1 (0.39) CCR2MAPTPOLBHTTMEN1
SCHEMBL18000099 0.71 PRMT5 (0.44) CCR2MAPTALDH1A1KMT2APRMT5

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
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
EP-1567150-B1 DERIVATIVES OF INDOLE-3-CARBOXAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-08-12 EP disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
US-7202268-B2 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-04-10 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
US-20050288356-A1 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 US disclosed
EP-1339679-B1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS SANOFI AVENTIS (FR) 2005-08-10 EP disclosed
US-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists SANOFI-AVENTIS (FR) 2004-02-19 US 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 (3 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-20050288356-A1 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics IDO1, IDO2, TDO2 CCR2 209/4885CCR9 1417/4885MAPT 3998/4885
US-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists CNR2, CNR1, GPR52 CCR2 148/4885CCR9 518/4885MAPT 2330/4885
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 CCR2 1642/4885CCR9 2657/4885MAPT 3394/4885

“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.