SCHEMBL17040915

SCHEMBL17040915

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
ALDH1A1 P00352 1/20 0.40
ACHE P22303 2/20 0.39
CYP3A4 P08684 1/20 0.35
DHFR P00374 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL20920134 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TAAR1
SCHEMBL14120676 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TAAR1
SCHEMBL1747998 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TAAR1
Hydrochloric Acid SCHEMBL7788895 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4TAAR1
Hydrochloric Acid SCHEMBL14120623 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4TAAR1
Hydrochloric Acid SCHEMBL3703308 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4TAAR1
SCHEMBL2758299 0.83 ALDH1A1 (0.45) TACR1ALDH1A1ACHECYP3A4PTPN1
SCHEMBL4834641 0.79 ALDH1A1 (0.45) TACR1ALDH1A1ACHE
SCHEMBL4832047 0.79 ALDH1A1 (0.45) TACR1ALDH1A1ACHE
SCHEMBL1748529 0.79 ALDH1A1 (0.45) TACR1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107900-B1 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SERVIER LAB (FR) 2017-11-15 EP disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 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-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 TACR1 4062/4885ALDH1A1 3415/4885ACHE 1162/4885

“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.