SCHEMBL3591408

SCHEMBL3591408

COC(=O)C(N)Cc1cc(C)c2[nH]ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 15/20 0.39
ALDH1A1 P00352 1/20 0.38
CALCRL Q16602 3/20 0.38

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
SCHEMBL29549518 1.00 CALCA (0.39) CALCAALDH1A1CALCRL
SCHEMBL22796447 1.00 CALCA (0.39) CALCAALDH1A1CALCRL
SCHEMBL107000 1.00 CALCA (0.39) CALCAALDH1A1CALCRL
Hydrochloric Acid SCHEMBL29549660 0.99 ALDH1A1 (0.40) CALCAALDH1A1CALCRL
Hydrochloric Acid SCHEMBL136451 0.99 ALDH1A1 (0.40) CALCAALDH1A1CALCRL
Hydrochloric Acid SCHEMBL136450 0.99 ALDH1A1 (0.40) CALCAALDH1A1CALCRL
Hydrochloric Acid SCHEMBL18788018 0.99 ALDH1A1 (0.40) CALCAALDH1A1CALCRL
Hydrochloric Acid SCHEMBL18788017 0.99 ALDH1A1 (0.40) CALCAALDH1A1CALCRL
Bromide SCHEMBL31628271 0.99 CALCA (0.39) CALCAALDH1A1CALCRL
Trifluoroacetic Acid SCHEMBL31180101 0.92 CALCA (0.38) CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12178813-B2 CGRP receptor antagonists NXERA PHARMA UK LIMITED (GB) 2024-12-31 US disclosed
CN-114980862-A Intranasal pharmaceutical compositions of CGRP inhibitors 拜尔哈文制药股份有限公司 2022-08-30 CN disclosed
CN-114245798-A CGRP antagonist compounds 赫普泰雅治疗有限公司 2022-03-25 CN disclosed
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2021-07-15 US disclosed
CN-108473465-B CGRP receptor antagonists 赫普塔瑞斯医疗有限公司 2021-03-02 CN disclosed
US-10888561-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-01-12 US disclosed
CN-108430991-B CGRP receptor antagonists 赫普塔瑞斯医疗有限公司 2021-01-05 CN disclosed
CN-108431005-B CGRP receptor antagonists 赫普塔瑞斯医疗有限公司 2020-12-25 CN disclosed
WO-2020249969-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-17 WO disclosed
US-20190231773-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-08-01 US disclosed
EP-1689738-A2 HETEROCYCLIC ANTI-MIGRAINE AGENTS Bristol-Myers Squibb Company (US) 2006-08-16 EP disclosed
WO-2006060678-A2 NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-08 WO disclosed
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY 2006-06-08 US disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 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 (8 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCA 2/4885ALDH1A1 2525/4885CALCRL 1/4885
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 CALCA 2/4885ALDH1A1 2853/4885CALCRL 1/4885
US-10888561-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 CALCA 18/4885ALDH1A1 1249/4885CALCRL 1/4885
US-12178813-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 CALCA 18/4885ALDH1A1 1249/4885CALCRL 1/4885
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof CALCR, CALCRL, CALCB CALCA 4/4885ALDH1A1 2702/4885CALCRL 2/4885
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, VIPR1 CALCA 18/4885ALDH1A1 1249/4885CALCRL 1/4885
US-20190231773-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, VIPR1 CALCA 18/4885ALDH1A1 1249/4885CALCRL 1/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCA 2/4885ALDH1A1 2525/4885CALCRL 1/4885

“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.