SCHEMBL1015213

SCHEMBL1015213

COc1ccc(COc2ccc(Br)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 1/20 0.51
SLC6A4 P31645 1/20 0.51
ENPP2 Q13822 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.49
LRRK2 Q5S007 1/20 0.47
APP P05067 3/20 0.45
PTGER1 P34995 1/20 0.45

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
SCHEMBL190649 0.88 MAOB (0.51) CCR5ALDH1A1KDM4EMAOBSLC6A4
SCHEMBL17050818 0.87 MRGPRX4 (0.60) ALDH1A1KDM4EMAOBENPP2MRGPRX4
SCHEMBL25180595 0.86 CCR5 (0.57) CCR5MAOBSLC6A4LRRK2APP
SCHEMBL30682049 0.84 CCR5 (0.56) CCR5ALDH1A1MAOBSLC6A4LRRK2
SCHEMBL3931258 0.84 CCR5 (0.56) CCR5MAPTMAOBLRRK2APP
SCHEMBL14985920 0.83 ENPP2 (0.55) ALDH1A1KDM4EMAOBENPP2MRGPRX4
SCHEMBL29858839 0.82 CCR5 (0.57) CCR5ALDH1A1MAPTMAOBLRRK2
SCHEMBL22265052 0.82 CCR5 (0.57) CCR5ALDH1A1MAPTMAOBLRRK2
SCHEMBL31320986 0.82 CCR5 (0.57) CCR5ALDH1A1MAPTMAOBLRRK2
SCHEMBL18397358 0.82 CCR5 (0.57) CCR5ALDH1A1MAPTMAOBLRRK2

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
WO-2013078320-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-30 WO disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F CCR5 2187/4885ALDH1A1 619/4885KDM4E 1576/4885

“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.