SCHEMBL1744338

SCHEMBL1744338

Cc1cc(B(O)O)ccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
LPL P06858 3/20 0.43
LIPG Q9Y5X9 3/20 0.43
ESR1 P03372 1/20 0.40
CA1 P00915 3/20 0.38
ENPP2 Q13822 6/20 0.34
TTR P02766 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL29954610 1.00 CA2 (0.43) CA2LPLLIPGESR1CA1
SCHEMBL382234 0.79 LPL (0.39) CA2LPLLIPGCA1ENPP2
SCHEMBL3790999 0.78 GAA (0.52) CA2LPLLIPGCA1ENPP2
SCHEMBL6726431 0.78 TTR (0.50) CA2LPLLIPGCA1ENPP2
SCHEMBL29817989 0.75 CA2 (0.52) CA2LPLLIPGCA1ENPP2
SCHEMBL40868 0.75 CA2 (0.52) CA2LPLLIPGCA1ENPP2
SCHEMBL21382152 0.73 ENPP2 (0.37) CA2LPLLIPGCA1ENPP2
SCHEMBL3786524 0.73 ENPP2 (0.41) CA2LPLLIPGCA1ENPP2
SCHEMBL3928671 0.73 CA2 (0.50) CA2LPLLIPGCA1ENPP2
SCHEMBL6561636 0.71 ESR1 (0.47) ESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-20180244606-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2018-08-30 US disclosed
EP-3350158-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 CN disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
WO-2017049172-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 CA2 215/4885LPL 4576/4885LIPG 2029/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 CA2 215/4885LPL 4576/4885LIPG 2029/4885
US-20180244606-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 CA2 4235/4885LPL 357/4885LIPG 312/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 CA2 3869/4885LPL 340/4885LIPG 247/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 CA2 4235/4885LPL 357/4885LIPG 312/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 CA2 1495/4885LPL 2357/4885LIPG 2409/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN CA2 2768/4885LPL 3143/4885LIPG 1697/4885

“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.