SCHEMBL2785809

SCHEMBL2785809

C1CCC(C2(C3CC3)CCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN11A Q9UI33 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL4653058 0.93 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL29142963 0.93 SCN1A (0.36) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL6079568 0.90 SCN1A (0.39) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL1814570 0.90 SCN1A (0.42) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL4655181 0.90 SCN1A (0.32) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL7164910 0.90 SCN1A (0.37) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL2993610 0.87 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL4654056 0.87 SCN1A (0.31) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL181178 0.87 SCN1A (0.41) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL4697737 0.87 SCN1A (0.41) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513086-B1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP claimed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP claimed
WO-2020247608-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO disclosed
US-20190127772-A1 ENZYMATIC GLYCOSYLATION OF STEVIOL GLYCOSIDES AND OTHER COMPOUNDS WITH GLUCOSE-1-PHOSPHATE CODEXIS INC (US) 2019-05-02 US disclosed
EP-2887943-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES Virostatics Srl (IT) 2015-07-01 EP disclosed
WO-2014031937-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2014-02-27 WO disclosed
WO-2010072712-A1 BIARYL BENZYLAMINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 WO disclosed
EP-2104671-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS Mutabilis SA (FR) 2009-09-30 EP disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 WO disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
EP-0958296-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 (IN) 1999-11-24 EP disclosed
US-5696084-A Amino-lipopetide antifungal agents ABBOTT LABORATORIES (US) 1997-12-09 US disclosed
WO-1997041097-A2 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 (IN) 1997-11-06 WO disclosed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 SCN1A 613/4885SCN4A 279/4885SCN7A 1082/4885
US-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR SCN1A 2683/4885SCN4A 3307/4885SCN7A 2898/4885

“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.