SCHEMBL1718206

SCHEMBL1718206

O=C(NC1CCc2ccccc2CC1O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CPB1 P15086 2/20 0.50
TSHR P16473 1/20 0.49
TLR4 O00206 1/20 0.47
EPHX1 P07099 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 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
SCHEMBL14193328 0.90 ALDH1A1 (0.52) CA1CA2ACHEALDH1A1GAA
SCHEMBL4820547 0.90 ALDH1A1 (0.52) CA1CA2ACHEALDH1A1GAA
SCHEMBL9490334 0.83 CA1 (0.73) CA1CA2ACHEALDH1A1GAA
SCHEMBL24324120 0.83 CPB1 (0.61) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL13326281 0.80 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5896895 0.80 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL18544232 0.80 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5749471 0.80 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5897658 0.80 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL13917140 0.80 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084125-B1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIV HAUTE ALSACE (FR) 2012-01-11 EP disclosed
US-20100069504-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2010-03-18 US disclosed
EP-2084125-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY Universite De Haute Alsace (FR) 2009-08-05 EP disclosed
WO-2008059141-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2008-05-22 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-20100069504-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY ANPEP, ENPEP, DNPEP CA1 558/4885CA2 1431/4885ACHE 506/4885

“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.