SCHEMBL782800

SCHEMBL782800

CC(C)(C)OC(=O)C1(C#N)CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
CTSL P07711 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL19332413 0.92 CTSL (0.36) CTSKCTSLCYP4F2CYP4A11
SCHEMBL15268592 0.84 CTSL (0.33) CTSKCTSL
SCHEMBL1973582 0.84 USP2 (0.39) CTSKCTSL
SCHEMBL4187262 0.84 CTSL (0.33) CTSKCTSL
SCHEMBL16427727 0.82 CTSL (0.32) CTSKCTSL
SCHEMBL16427906 0.81 CTSL (0.32) CTSKCTSL
SCHEMBL2780424 0.80 CYP4F2 (0.36) CTSKCTSLMEN1ALDH1A1MAPT
SCHEMBL5551911 0.78 NPSR1 (0.41) MEN1ALDH1A1MAPTKMT2ACYP4F2
SCHEMBL16472495 0.74 DPP4 (0.31) ALDH1A1
SCHEMBL100849 0.74 NPSR1 (0.45) MEN1ALDH1A1MAPTKMT2ACYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020015343-A1 NOVEL COMPOUNDS AND THEIR USES AS ACC INHIBITORS NANJING RUIJIE PHARMATECH CO., LTD. (CN) 2020-01-23 WO disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
EP-2834220-B1 4-HYDROXY-ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN INC (US) 2016-11-09 EP disclosed
US-9409892-B2 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors FIBROGEN, INC. (US) 2016-08-09 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
EP-2834220-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2015-02-11 EP disclosed
US-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. 2015-02-05 US disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
WO-2013134660-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2013-09-12 WO disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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 (5 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-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS EGLN3, HIF1AN, EGLN2 CTSK 4536/4885CTSL 4738/4885MEN1 4722/4885
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CTSK 4303/4885CTSL 4154/4885MEN1 1576/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CTSK 4303/4885CTSL 4154/4885MEN1 1576/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CTSK 4303/4885CTSL 4154/4885MEN1 1576/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CTSK 4303/4885CTSL 4154/4885MEN1 1576/4885

“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.