SCHEMBL15052824

SCHEMBL15052824

COc1cc(C(C)N)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAPT P10636 1/20 0.41

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
SCHEMBL8217961 1.00 HTR2A (0.46) HTR2ATAAR1MAPT
SCHEMBL27358818 1.00 HTR2A (0.46) HTR2ATAAR1MAPT
SCHEMBL30753311 1.00 HTR2A (0.46) HTR2ATAAR1MAPT
SCHEMBL30385392 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL20969733 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL15210443 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL1493797 0.84 HDAC4 (0.47) HTR2ATAAR1MAPT
SCHEMBL11842976 0.84 MAPT (0.43) HTR2ATAAR1MAPT
Hydrochloric Acid SCHEMBL29138281 0.83 HTR2A (0.45) HTR2ATAAR1
Hydrochloric Acid SCHEMBL30083262 0.83 HTR2A (0.45) HTR2ATAAR1

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
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 WO disclosed
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
EP-2794587-B1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 WO disclosed
EP-2794587-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 EP disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
WO-2013092976-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US 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-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 HTR2A 2622/4885TAAR1 4866/4885MAPT 737/4885
US-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 HTR2A 1244/4885TAAR1 1748/4885MAPT 3162/4885

“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.