SCHEMBL105569

SCHEMBL105569

O=c1[nH]c2ccccc2cc1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
BRD4 O60885 1/20 0.47
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
HTR2C P28335 5/20 0.46
ADRB2 P07550 1/20 0.46
KDR P35968 4/20 0.45
CHEK1 O14757 1/20 0.45
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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 SCHEMBL2209444 0.98 HTR2C (0.48) MAOBBRD4DAODDOHTR2C
Hydrochloric Acid SCHEMBL31318331 0.98 HTR2C (0.48) MAOBBRD4DAODDOHTR2C
SCHEMBL29151429 0.94 PARP1 (0.44) MAOBBRD4DAODDOHTR2C
SCHEMBL30747837 0.94 PARP1 (0.44) MAOBBRD4DAODDOHTR2C
SCHEMBL27792401 0.90 DAO (0.53) BRD4DAODDOKDRCHEK1
SCHEMBL677495 0.87 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL14540060 0.84 BRD4 (0.47) BRD4DAODDOKDRCHEK1
SCHEMBL7004929 0.83 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL24781820 0.81 DAO (0.51) DAOHTR2CCHEK1CA12CA9
SCHEMBL12512954 0.81 DAO (0.51) DAOCHEK1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125353-A1 METHOD OF PREPARATION OF ZAVEGEPANT, SYNTHESIS INTERMEDIATES OF ZAVEGEPANT AND METHODS OF PREPARATION THEREOF MOEHS IBERICA, S.L. (ES) 2025-06-19 WO claimed
CN-121293184-A Preparation method of 3- (piperidin-4-yl) quinolin-2 (1H) -one 江苏工程职业技术学院 2026-01-09 CN disclosed
WO-2025125353-A1 METHOD OF PREPARATION OF ZAVEGEPANT, SYNTHESIS INTERMEDIATES OF ZAVEGEPANT AND METHODS OF PREPARATION THEREOF MOEHS IBERICA, S.L. (ES) 2025-06-19 WO disclosed
US-12178813-B2 CGRP receptor antagonists NXERA PHARMA UK LIMITED (GB) 2024-12-31 US disclosed
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE PFIZER IRELAND PHARMACEUTICALS 2024-12-12 US disclosed
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
CN-117551081-A New preparation method of migraine therapeutic drug 北京康立生医药技术开发有限公司 2024-02-13 CN disclosed
EP-4284505-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE Pfizer Ireland Pharmaceuticals (IE) 2023-12-06 EP disclosed
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 US disclosed
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 US disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US disclosed
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005056550-A2 HETEROCYCLIC ANTI-MIGRAINE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-23 WO disclosed
WO-2004091514-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 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 (7 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-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS CALCA, CALCB, CALCRL MAOB 245/4885BRD4 1511/4885DAO 3797/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB MAOB 484/4885BRD4 2969/4885DAO 1378/4885
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache CALCRL, CALCA, BDKRB2 MAOB 1524/4885BRD4 373/4885DAO 4495/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA MAOB 630/4885BRD4 1473/4885DAO 4439/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAOB 64/4885BRD4 4811/4885DAO 7/4885
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE CALCA, CALCB, CALCRL MAOB 319/4885BRD4 2407/4885DAO 3893/4885
US-12178813-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 MAOB 903/4885BRD4 1119/4885DAO 3726/4885

“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.