SCHEMBL2835406

SCHEMBL2835406

O=C(O)N1[C@@H](c2cccc(OCc3ccccc3F)c2)CC[C@]12CCCNC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.42
KCNH2 Q12809 8/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
SCN3A Q9NY46 9/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL2834518 1.00 HPD (0.42) HPDKCNH2F2F10SCN3A
SCHEMBL2832474 0.95 KCNH2 (0.42) HPDKCNH2F2F10SCN3A
SCHEMBL2834508 0.90 KCNH2 (0.48) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2837215 0.90 KCNH2 (0.48) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483538 0.89 SCN3A (0.39) HPDKCNH2F2F10SCN3A
SCHEMBL483225 0.89 SCN3A (0.39) HPDKCNH2F2F10SCN3A
SCHEMBL2836104 0.85 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835400 0.85 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483533 0.83 F2 (0.39) HPDKCNH2F2F10SCN3A
SCHEMBL2837250 0.83 KCNH2 (0.42) HPDKCNH2F2F10SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 HPD 3146/4885KCNH2 3260/4885F2 716/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B HPD 4665/4885KCNH2 15/4885F2 3505/4885

“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.