SCHEMBL1748133

SCHEMBL1748133

CC(N)c1cc(Cl)cc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRB2 P07550 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PNMT P11086 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GLA P06280 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
SCHEMBL1748069 0.86 LMNA (0.38) LMNATP53HTTADRB2GABRA1
SCHEMBL12404705 0.86 GABRA1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3GABRA1
SCHEMBL1748274 0.83 GABRA1 (0.37) SLC6A2SLC6A3GABRA1GABRB1CYP3A4
SCHEMBL5216895 0.72 AHR (0.35) TP53CYP3A4ALDH1A1
SCHEMBL12484333 0.72 NPC1 (0.37) CYP3A4ALDH1A1
SCHEMBL1253241 0.71 ALDH1A1 (0.46) LMNATAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL14120852 0.71 ALDH1A1 (0.46) LMNATAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL13046425 0.71 ALDH1A1 (0.46) LMNATAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL12401759 0.71 ALDH1A1 (0.32) CYP3A4ALDH1A1
SCHEMBL13533164 0.71 GABRA1 (0.44) 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 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
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
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2007097967-A2 COSMETIC COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS KAO BRANDS COMAPNY (US) 2007-08-30 WO 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 LMNA 4313/4885TP53 2233/4885HTT 375/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B LMNA 4313/4885TP53 2233/4885HTT 375/4885

“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.