SCHEMBL862168

SCHEMBL862168

CC(=O)[C@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.79
SCN3A Q9NY46 8/20 0.79
SCN1A P35498 1/20 0.79
SCN4A P35499 1/20 0.79
SCN7A Q01118 1/20 0.79
SCN5A Q14524 1/20 0.79
SCN9A Q15858 1/20 0.79
SCN2A Q99250 1/20 0.79
SCN8A Q9UQD0 1/20 0.79
SCN10A Q9Y5Y9 1/20 0.79
MAOB P27338 4/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2B6 P20813 1/20 0.78
CYP2C19 P33261 1/20 0.78
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL13320297 1.00 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862451 1.00 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL10080247 0.89 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2713491 0.89 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL24491210 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL310294 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL22546620 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862470 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL29685919 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL2831660 0.88 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 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 (1 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B KCNH2 65/4885SCN3A 8/4885SCN1A 1/4885

“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.