SCHEMBL938713

SCHEMBL938713

FC(F)(F)Oc1ccc[c]c1CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
CYP2A13 Q16696 5/20 0.39
ABL1 P00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.38
HTT P42858 1/20 0.37
EPHX2 P34913 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL4282318 0.79 CYP2A13 (0.42) KDM4ECYP2A13MEN1ALDH1A1KMT2A
SCHEMBL27891441 0.77 CYP2A13 (0.58) CNR2CYP2A13MEN1ALDH1A1KMT2A
SCHEMBL2649768 0.77 CYP2A13 (0.57) KDM4ECYP2A13MEN1ALDH1A1KMT2A
SCHEMBL14938678 0.74 CYP2A13 (0.57) CYP2A13MEN1ALDH1A1KMT2ACXCR4
SCHEMBL26640828 0.73 CYP2A13 (0.42) CYP2A13MEN1ALDH1A1KMT2ACXCR4
SCHEMBL15352833 0.71 SLC6A3 (0.33) KDM4EALDH1A1
SCHEMBL5850030 0.71 SLC7A5 (0.32) KDM4E
SCHEMBL4282302 0.70 CYP2A13 (0.53) KDM4ECYP2A13MEN1ALDH1A1KMT2A
SCHEMBL21408640 0.70 CYP3A4 (0.47) KDM4ECYP2A13MEN1ALDH1A1KMT2A
SCHEMBL3179383 0.69 KDM4E (0.50) KDM4ECYP2A13ALDH1A1KMT2AHTT

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 8 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
CN-102725290-B As the condensed heterocyclic compouds of ion channel modulators GILEAD SCIENCES, INC. (US) 2016-03-09 CN disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US 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
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 CN disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885CNR2 336/4885CYP2A13 1232/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885CNR2 336/4885CYP2A13 1232/4885

“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.