SCHEMBL5281972

SCHEMBL5281972

COc1cc(Cl)cc(C(C)N)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ALDH1A1 P00352 1/20 0.39
ABCB11 O95342 1/20 0.36
AHR P35869 1/20 0.35
CASR P41180 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL27413717 1.00 ADRB2 (0.43) ADRB2ALDH1A1ABCB11AHRCASR
SCHEMBL1747998 0.85 ALDH1A1 (0.55) ALDH1A1TAAR1SLC6A4
SCHEMBL14120676 0.85 ALDH1A1 (0.55) ALDH1A1TAAR1SLC6A4
SCHEMBL20920134 0.85 ALDH1A1 (0.55) ALDH1A1TAAR1SLC6A4
SCHEMBL2737289 0.83 ALDH1A1 (0.42) ALDH1A1ABCB11AHRCASR
Hydrochloric Acid SCHEMBL7788895 0.83 ALDH1A1 (0.52) ALDH1A1TAAR1SLC6A4
Hydrochloric Acid SCHEMBL3703308 0.83 ALDH1A1 (0.52) ALDH1A1TAAR1SLC6A4
Hydrochloric Acid SCHEMBL14120623 0.83 ALDH1A1 (0.52) ALDH1A1TAAR1SLC6A4
SCHEMBL4832246 0.80 ADRB2 (0.56) ADRB2LMNATP53HTTIDO1
SCHEMBL1748450 0.80 ADRB2 (0.56) ADRB2LMNATP53HTTIDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ADRB2 38/4885ALDH1A1 1488/4885ABCB11 1332/4885

“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.