SCHEMBL4748922

SCHEMBL4748922

C1CCC(C2(C3CCC3)CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN11A Q9UI33 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4012058 1.00 SCN1A (0.39) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL8529811 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL1630078 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL2993610 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL4655278 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL181178 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL4697737 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL30492082 0.97 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL6079568 0.94 SCN1A (0.39) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL1814570 0.94 SCN1A (0.42) SCN1ASCN4ASCN7AKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP claimed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP claimed
WO-2023218484-A1 BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2023-11-16 WO disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 EP disclosed
EP-2399905-A1 SULFONIUM SALT, PHOTO-ACID GENERATOR, AND PHOTOSENSITIVE RESIN COMPOSITION San-Apro Limited (JP) 2011-12-28 EP disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
WO-2007017179-A1 USE OF IONIC UV-A SUNSCREENS DSM IP ASSETS B.V. (NL) 2007-02-15 WO disclosed
EP-1599465-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES Bayer CropScience AG (DE) 2005-11-30 EP disclosed
US-20040242876-A1 Process for the preparation of (pyrimmidin-2-yl) methyl ketones LONZA LTD. (CH) 2004-12-02 US disclosed
WO-2004074274-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
US-6780992-B2 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL) -ETHOXY)PHENYL METHYL)THIAZOLIDINE-2,4-DIONE FOR EXAMPLE; ALSO OXAZOLIDINE-2,4-DIONE, AND 1,2,4-OXADIAZOLIDINE-3,5-DIONE DERIVATIVES; REDUCING BLOOD GLUCOSE LEVELS DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-24 US disclosed
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-09-05 US 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-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B1 SCN1A 1764/4885SCN4A 1155/4885SCN7A 1903/4885
US-20040242876-A1 Process for the preparation of (pyrimmidin-2-yl) methyl ketones MRM1, CYP2E1, CBR1 SCN1A 3145/4885SCN4A 3679/4885SCN7A 3762/4885

“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.