SCHEMBL2816749

SCHEMBL2816749

COC(=O)c1cncn1C1CCc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CXCR3 P49682 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
CYP11B2 P19099 2/20 0.38
SRD5A1 P18405 3/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
SRD5A2 P31213 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL2817696 0.87 CYP17A1 (0.40) PDE10ATRPV1CYP11B2SRD5A1KDM4E
SCHEMBL2817680 0.84 CYP11B2 (0.54) CYP11B2
SCHEMBL27788555 0.80 SRD5A1 (0.37) GHSRCXCR3KDM4CTRPV1CYP11B2
SCHEMBL2820948 0.78 CYP11B2 (0.56) CYP11B2
SCHEMBL2817700 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1
SCHEMBL9493435 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1
SCHEMBL9493247 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1
SCHEMBL27788556 0.76 KDM4C (0.39) CXCR3KDM4CTRPV1CYP11B2SRD5A1
SCHEMBL9492669 0.74 MTNR1B (0.54)
SCHEMBL2818670 0.72 CYP11B2 (0.45) CYP11B2KDM4EALDH1A1GAAHPGD

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 7 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
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
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 GHSR 1523/4885PDE10A 1118/4885CXCR3 2112/4885

“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.