SCHEMBL14480747

SCHEMBL14480747

O=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2CN(CC(F)F)CCN12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SCN1A P35498 3/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
SCN4A P35499 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MCHR1 Q99705 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
OPRK1 P41145 1/20 0.33
TIPARP Q7Z3E1 8/20 0.33
AXL P30530 1/20 0.32
TNIK Q9UKE5 2/20 0.32

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
SCHEMBL14480859 1.00 HRH3 (0.36) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL21780498 1.00 HRH3 (0.36) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL14480503 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL21780459 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL14480898 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL14480767 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL21780490 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL14480765 0.88 HRH3 (0.37) HRH3ROCK2ROCK1SCN1ASCN5A
SCHEMBL21780436 0.86 AXL (0.33) SCN1ASCN5ASCN9ASCN4AKCNH2
SCHEMBL21780418 0.84 HTR2A (0.41) HRH3ROCK2ROCK1SCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP claimed
EP-3085696-A1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2016-10-26 EP claimed
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-04-07 US claimed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 US claimed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US claimed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3098218-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
EP-3088395-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
EP-3085694-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-25 EP disclosed
US-20200085838-A1 METHODS OF TREATING EPILEPSY AND NEURODEVELOPMENTAL DISORDERS PRAXIS PREC MEDICINES INC (US) 2020-03-19 US disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
WO-2013006485-A1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-01-10 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 (4 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 HRH3 2076/4885ROCK2 1725/4885ROCK1 1588/4885
US-20200085838-A1 METHODS OF TREATING EPILEPSY AND NEURODEVELOPMENTAL DISORDERS INA, SCN1A, CACNA1A HRH3 4067/4885ROCK2 3095/4885ROCK1 3594/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 HRH3 2076/4885ROCK2 1725/4885ROCK1 1588/4885
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 HRH3 2076/4885ROCK2 1725/4885ROCK1 1588/4885

“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.