SCHEMBL1748155

SCHEMBL1748155

CC(O)c1cc(Cl)cc2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP3K14 Q99558 3/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
LARS1 Q9P2J5 2/20 0.31
MAOB P27338 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL1748274 0.86 GABRA1 (0.37) GABRA1GABRB1
SCHEMBL13533164 0.86 GABRA1 (0.44) GABRA1GABRB1MAP3K14PTGS1PTGS2
SCHEMBL1748069 0.83 LMNA (0.38) GABRA1GABRB1LARS1
SCHEMBL13534197 0.72 MAP3K14 (0.42) TSHRHSD17B10MAP3K14HTR1ALARS1
SCHEMBL263876 0.71 HTR1A (0.35) MAP3K14HTR1ALARS1MAOBPLK1
SCHEMBL13425684 0.71 MTNR1A (0.43)
SCHEMBL23350956 0.71 MAP3K14 (0.31) MAP3K14PTGS1PTGS2HTR1ALARS1
SCHEMBL12404705 0.71 GABRA1 (0.44) GABRA1GABRB1
SCHEMBL1748557 0.69 KMT2A (0.46) HSD17B10MAOBPLK1
SCHEMBL1748133 0.69 LMNA (0.38) GABRA1GABRB1

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 12 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US 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
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US 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 GABRA1 1399/4885GABRB1 1379/4885TSHR 142/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B GABRA1 1399/4885GABRB1 1379/4885TSHR 142/4885

“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.