Sugi Predict

Sugi Predict / Compounds / SCHEMBL2818016

SCHEMBL2818016

SCHEMBL2818016

CC(C)OC(=O)c1cncn1C1CCC(C)(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ OPRM1 P35372 6/20 0.38
▸ OPRD1 P41143 6/20 0.38
▸ OPRK1 P41145 6/20 0.38
▸ OPRL1 P41146 6/20 0.38
▸ IDO1 P14902 9/20 0.37
▸ TDO2 P48775 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33

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
SCHEMBL2818506 0.89 CYP11B2 (0.41) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL2818685 0.88 KDM4C (0.44) KDM4CCYP11B2OPRM1OPRD1OPRK1
SCHEMBL2817728 0.81 CYP11B2 (0.43) CYP11B2IDO1TDO2CYP3A4MAPK1
SCHEMBL2820351 0.80 CYP11B2 (0.41) CYP11B2OPRM1OPRK1IDO1TDO2
SCHEMBL2820348 0.80 CYP11B2 (0.41) CYP11B2OPRM1OPRK1IDO1TDO2
SCHEMBL2820997 0.80 CYP11B2 (0.41) CYP11B2OPRM1OPRK1IDO1TDO2
SCHEMBL2818192 0.79 USP1 (0.39) CYP11B2OPRL1IDO1TDO2MAPK1
SCHEMBL2818204 0.79 CYP11B2 (0.45) CYP11B2IDO1TDO2CYP3A4
SCHEMBL2818201 0.79 CYP11B2 (0.45) CYP11B2IDO1TDO2CYP3A4
SCHEMBL2819795 0.79 CYP11B2 (0.45) CYP11B2IDO1TDO2CYP3A4

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 — — EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — 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 (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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 KDM4C 2058/4885CYP11B2 6/4885OPRM1 705/4885

“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.