SCHEMBL1748276

SCHEMBL1748276

COc1cc(Cl)cc(C(C)O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
ERN1 O75460 1/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HTR6 P50406 1/20 0.37
CA9 Q16790 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL15219673 0.85 GABRA1 (0.47) GAAMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL1748555 0.81 GAA (0.42) GAAALDH1A1ACHELMNAHTR6
SCHEMBL27703893 0.81 KDM4E (0.43) GAAMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL14553743 0.79 ACHE (0.59) GAAMAPTCYP3A4ALDH1A1ERN1
SCHEMBL5056279 0.77 ALDH1A1 (0.38) GAAALDH1A1KDM4EGABRA1GABRB1
SCHEMBL27703895 0.77 ERN1 (0.42) GAAMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL1541914 0.77 ACHE (0.59) GAAMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL4117311 0.76 TUBB4A (0.38) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL6239164 0.76 LPAR1 (0.44) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL364796 0.76 ADRA2A (0.45) GAAMAPTALDH1A1KDM4ELMNA

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-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
CN-101203500-B Substituted arylamine compounds and their use as 5-HT6Use of modulators GALENEA CORP 2013-08-21 CN disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
WO-2009115393-A1 PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 2009-09-24 WO disclosed
EP-2103596-A1 Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-23 EP disclosed
CN-101203500-A Substituted arylamine compounds and their use as 5-HT6Use of modulators EPIX DELAWARE INC (US) 2008-06-18 CN disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B GAA 1586/4885MAPT 4350/4885CYP3A4 314/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B GAA 1586/4885MAPT 4350/4885CYP3A4 314/4885

“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.