SCHEMBL2078622

SCHEMBL2078622

CCOC(=O)/C=C/c1ccc(O)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
CYP3A4 P08684 1/20 0.48
FDPS P14324 1/20 0.47
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ESR1 P03372 3/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ESR2 Q92731 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
SCHEMBL2078623 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL24366924 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL29081899 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL31145102 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL14148937 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1510817 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1510820 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1704853 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1704850 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5624441 0.83 CA12 (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251166-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2021-11-05 CN disclosed
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 EP disclosed
CN-109251166-A The aminated compounds for inhibiting SSAO/VAP-1 and its application in medicine 广东东阳光药业有限公司 2019-01-22 CN disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
EP-3239142-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-7906532-B2 Antiserotonine agents; gastrointestinal disorders; irritable bowel syndrome; central nervous system disorders; Alzheimer's disease; cognition activators; analgesics; cardiovascular disorders; antidiabetic agents; sleep disorders PFIZER INC. (US) 2011-03-15 US disclosed
EP-1910340-B1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2009-11-18 EP disclosed
US-20080269211-A1 Indazole Derivatives PFIZER INC 2008-10-30 US disclosed
EP-1910340-A1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2008-04-16 EP disclosed
WO-2007010390-A1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2007-01-25 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 (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-20080269211-A1 Indazole Derivatives GPR119, HRH4, HTR4 CA12 3974/4885CA1 2201/4885CA2 1722/4885
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 CA12 308/4885CA1 229/4885CA2 129/4885

“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.