SCHEMBL680013

SCHEMBL680013

CC1(C)OB(c2cnn(C(=O)O)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
LIPG Q9Y5X9 5/20 0.38
LPL P06858 4/20 0.38
P4HB P07237 1/20 0.37
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
DGAT1 O75907 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 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
SCHEMBL14654744 0.87 FFAR1 (0.52) FFAR1LIPGLPLP4HBF11
SCHEMBL29108989 0.86 FFAR1 (0.51) FFAR1LIPGLPLP4HBF11
SCHEMBL23360827 0.84 FFAR1 (0.39) FFAR1
SCHEMBL29071418 0.83 FFAR1 (0.49) FFAR1LIPGLPLP4HBF11
SCHEMBL3095572 0.83 LIPG (0.53) FFAR1LIPGLPLP4HBF11
SCHEMBL1650157 0.81 FFAR1 (0.50) FFAR1LIPGLPLF11DGAT1
SCHEMBL28625603 0.80 FFAR1 (0.43) FFAR1
SCHEMBL860835 0.80 FFAR1 (0.46) FFAR1P4HBDGAT1IRAK4CA1
SCHEMBL28695626 0.80 FFAR1 (0.35) FFAR1
SCHEMBL15742131 0.79 FFAR1 (0.51) FFAR1LIPGLPLF11F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3564233-B1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2023-05-03 EP disclosed
EP-3644992-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-4101849-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2022-12-14 EP disclosed
US-20220387428-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2022-12-08 US disclosed
US-20220242850-A1 PHTHALAZIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-08-04 US disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
WO-2010011538-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY (US) 2010-01-28 WO disclosed
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY 2010-01-28 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 WO disclosed
WO-2008094473-A1 SUBSTITUTED PYRANO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 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-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 FFAR1 498/4885LIPG 4797/4885LPL 4210/4885
US-20220242850-A1 PHTHALAZIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK4, GRK3 FFAR1 340/4885LIPG 817/4885LPL 607/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 FFAR1 560/4885LIPG 4825/4885LPL 4718/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 FFAR1 269/4885LIPG 3315/4885LPL 4483/4885
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET MET, MYCBP, MYC FFAR1 2615/4885LIPG 3859/4885LPL 4634/4885
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD FFAR1 4399/4885LIPG 1387/4885LPL 2023/4885
US-20220387428-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, SF3B5 FFAR1 3657/4885LIPG 4554/4885LPL 2609/4885

“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.