Sugi Predict

Sugi Predict / Compounds / SCHEMBL484710

SCHEMBL484710

SCHEMBL484710

CC(C)(C)OC(=O)N1[C@H](c2ccc(OCc3ccccc3)cc2)CC[C@]1(C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PRMT5 O14744 5/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AMPD2 Q01433 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL311656 1.00 YAP1 (0.46) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL1104528 0.92 YAP1 (0.48) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL483557 0.92 YAP1 (0.45) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL483558 0.92 YAP1 (0.45) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL484203 0.92 YAP1 (0.45) YAP1KCNH2PRMT5TP53GHSR
Ethane SCHEMBL483694 0.92 YAP1 (0.45) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL483518 0.92 YAP1 (0.45) YAP1KCNH2PRMT5TP53GHSR
SCHEMBL2831540 0.88 KCNH2 (0.51) KCNH2TP53ADAM17MAOBPARP10
SCHEMBL2832438 0.88 KCNH2 (0.51) KCNH2TP53ADAM17MAOBPARP10
SCHEMBL10167514 0.88 KCNH2 (0.42) YAP1KCNH2ADAM17MAOBRAB9A

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
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-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 — — 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 (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 YAP1 1640/4885KCNH2 3260/4885PRMT5 3104/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B YAP1 3425/4885KCNH2 15/4885PRMT5 319/4885

“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.