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SCHEMBL139773

SCHEMBL139773

Cc1cc(CC(C(=O)O)C(=O)OCc2ccccc2)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC15A1 P46059 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL29770513 0.91 POLB (0.46) POLBNPC1RAB9AALDH1A1MMP8
SCHEMBL27646044 0.91 POLB (0.46) POLBNPC1RAB9AALDH1A1MMP8
SCHEMBL3542852 0.85 MMP8 (0.42) POLBNPC1RAB9AALDH1A1MMP8
SCHEMBL3542854 0.85 MMP8 (0.42) POLBNPC1RAB9AALDH1A1MMP8
SCHEMBL7298214 0.82 ALDH1A1 (0.55) ALDH1A1MMP8CTSBKMT2AMAPK1
SCHEMBL3543365 0.79 FFAR4 (0.42) KMT2ALTA4HFFAR4MEN1CYP2C9
SCHEMBL178751 0.77 ALDH1A1 (0.58) POLBALDH1A1TACR1CTSBKMT2A
SCHEMBL140431 0.77 ACACB (0.50) —
SCHEMBL3546810 0.77 ACACB (0.50) —
SCHEMBL1555297 0.77 ALDH1A1 (0.57) ALDH1A1MMP8CTSBKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4076395-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-10-26 — — EP 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
WO-2021127070-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2021-06-24 — — WO disclosed
EP-2552906-B1 CGRP RECEPTOR ANTAGONIST BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 — — US disclosed
EP-2552906-A1 CGRP RECEPTOR ANTAGONIST Bristol-Myers Squibb Company (US) 2013-02-06 — — EP disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
WO-2011123232-A1 CGRP RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO disclosed
US-7569578-B2 Heterocyclic anti-migraine agents BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-08-04 — — US disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 POLB 2687/4885NPC1 85/4885RAB9A 2622/4885
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 POLB 2515/4885NPC1 2226/4885RAB9A 2665/4885
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof CALCR, CALCRL, CALCB POLB 3170/4885NPC1 829/4885RAB9A 1406/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR POLB 2681/4885NPC1 1711/4885RAB9A 1992/4885

“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.