SCHEMBL3433759

SCHEMBL3433759

Cc1cccc(C)c1OCCOC(C)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 10/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.43
SCN4A P35499 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
SCN2A Q99250 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42
KCNK2 O95069 1/20 0.42
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL10202761 0.86 SCN8A (0.43) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL10268365 0.82 SCN8A (0.43) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL10202943 0.75 ALDH1A1 (0.47) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL15085786 0.73 ALDH1A1 (0.50) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL16280979 0.72 SCN4A (0.47) SCN8AALDH1A1SCN4ALMNASCN1A
SCHEMBL78591 0.71 ALDH1A1 (0.51) SCN8AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1991553 0.71 ALDH1A1 (0.52) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL15869661 0.71 KCNA3 (0.54) SCN8AALDH1A1SCN4A
Ammonia Solution, Strong SCHEMBL8858388 0.70 ALDH1A1 (0.50) SCN8AALDH1A1KDM4ESCN4ALMNA
SCHEMBL15089976 0.70 ALDH1A1 (0.50) SCN8AALDH1A1KDM4ESCN4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN8A 60/4885ALDH1A1 1334/4885KDM4E 1943/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SCN8A 94/4885ALDH1A1 2432/4885KDM4E 2541/4885

“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.