SCHEMBL2818685

SCHEMBL2818685

COC(=O)c1cncn1C1CCC(C)(C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.44
CYP11B2 P19099 3/20 0.41
MAPK1 P28482 1/20 0.40
OPRM1 P35372 10/20 0.39
OPRD1 P41143 10/20 0.39
OPRK1 P41145 10/20 0.39
OPRL1 P41146 10/20 0.39
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
TDO2 P48775 2/20 0.34

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
SCHEMBL2817741 0.88 CYP11B2 (0.43) KDM4CCYP11B2MAPK1IDO1KDM4E
SCHEMBL2818016 0.88 KDM4C (0.40) KDM4CCYP11B2MAPK1OPRM1OPRD1
SCHEMBL9493247 0.78 CYP11B2 (0.43) CYP11B2MAPK1ALDH1A1
SCHEMBL2817700 0.78 CYP11B2 (0.43) CYP11B2MAPK1ALDH1A1
SCHEMBL9493435 0.78 CYP11B2 (0.43) CYP11B2MAPK1ALDH1A1
SCHEMBL9673472 0.77 MAPK1 (0.40) CYP11B2MAPK1OPRL1IDO1
SCHEMBL10494022 0.77 KMT2A (0.48) KDM4CCYP11B2MAPK1
SCHEMBL842484 0.76 NOTUM (0.40) CYP11B2MAPK1IDO1ALDH1A1KDM4E
SCHEMBL2818506 0.76 CYP11B2 (0.41) CYP11B2MAPK1IDO1ALDH1A1CYP11B1
SCHEMBL2818194 0.76 OPRM1 (0.44) KDM4CCYP11B2OPRM1OPRD1OPRK1

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 6/4885MAPK1 977/4885

“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.