Sugi Predict

Sugi Predict / Compounds / SCHEMBL483783

SCHEMBL483783

SCHEMBL483783

CC(C)(C)OC(=O)N1[C@@H](c2ccc(OCc3ccccc3C#N)cc2)CC[C@@]1(C)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.51
▸ MMP1 P03956 3/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ SCN3A Q9NY46 4/20 0.40
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SCN1A P35498 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ SCN7A Q01118 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ SCN10A Q9Y5Y9 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
SCHEMBL2833719 0.89 KCNH2 (0.55) KCNH2MMP1ADAM17FFAR1SCN3A
SCHEMBL10167514 0.88 KCNH2 (0.42) KCNH2ADAM17SCN3AMAOBSCN1A
SCHEMBL483793 0.87 KCNH2 (0.55) KCNH2MMP1ADAM17SCN3AMAOB
SCHEMBL310675 0.87 KCNH2 (0.55) KCNH2MMP1ADAM17SCN3AMAOB
SCHEMBL483566 0.85 KCNH2 (0.49) KCNH2GPR119
SCHEMBL311656 0.85 YAP1 (0.46) KCNH2ADAM17MAOB
SCHEMBL484710 0.85 YAP1 (0.46) KCNH2ADAM17MAOB
SCHEMBL483666 0.83 KCNH2 (0.45) KCNH2MMP1ADAM17FFAR1GPR119
SCHEMBL28285321 0.79 GPR119 (0.43) GPR119
SCHEMBL483695 0.79 KCNH2 (0.51) KCNH2MMP1ADAM17SCN3AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 — — EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US disclosed
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-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
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 KCNH2 3260/4885MMP1 3314/4885ADAM17 2157/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885MMP1 4738/4885ADAM17 4351/4885

“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.