SCHEMBL550356

SCHEMBL550356

O=C1Nc2ncccc2C12CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCA P06881 5/20 0.50
BACE1 P56817 1/20 0.46
OPRM1 P35372 2/20 0.38
CALCRL Q16602 3/20 0.37
NPC1 O15118 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Hydrochloric Acid SCHEMBL1435426 0.98 CALCA (0.49) CALCABACE1OPRM1CALCRLNPC1
Hydrochloric Acid SCHEMBL439460 0.98 CALCA (0.49) CALCABACE1OPRM1CALCRLNPC1
Hydrochloric Acid SCHEMBL1436147 0.98 CALCA (0.49) CALCABACE1OPRM1CALCRLNPC1
SCHEMBL30721785 0.94 CALCA (0.47) CALCABACE1OPRM1CALCRLOTUD7B
SCHEMBL16235885 0.90 CALCA (0.46) CALCACALCRLNPC1OTUD7BCYP1A2
SCHEMBL15699749 0.87 CALCA (0.44) CALCACALCRLNPC1OTUD7BCYP1A2
SCHEMBL30087869 0.87 CALCA (0.44) CALCACALCRLNPC1
SCHEMBL15999444 0.87 CALCA (0.44) CALCACALCRLNPC1
SCHEMBL31456516 0.87 CALCA (0.44) CALCACALCRLNPC1OTUD7BCYP1A2
SCHEMBL30087880 0.85 CALCA (0.43) CALCACALCRL

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046223-A1 INDAZOLE FORMAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF 熙源安健医药(上海)有限公司 2024-03-07 WO disclosed
CN-117624191-A Indazole carboxamide derivatives, preparation method and application thereof 熙源安健医药(上海)有限公司 2024-03-01 CN disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
EP-1802637-B1 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-10-15 EP disclosed
WO-2008085317-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-07-17 WO disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
WO-2007016087-A2 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-08 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 (6 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-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL CALCA 19/4885BACE1 706/4885OPRM1 94/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 CALCA 3165/4885BACE1 3420/4885OPRM1 1519/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 CALCA 3401/4885BACE1 3511/4885OPRM1 1433/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCA 12/4885BACE1 580/4885OPRM1 34/4885
US-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CALCA 18/4885BACE1 648/4885OPRM1 85/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR CALCA 9/4885BACE1 472/4885OPRM1 159/4885

“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.