SCHEMBL2817696

SCHEMBL2817696

COC(=O)c1cncn1C1CCc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
SRD5A1 P18405 3/20 0.37
NPY5R Q15761 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.37
PIN1 Q13526 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
SCHEMBL2816749 0.87 GHSR (0.40) PDE10ACYP11B2TRPV1SRD5A1KDM4E
SCHEMBL2817680 0.84 CYP11B2 (0.54) CYP17A1CYP11B2CYP11B1CYP19A1HRH1
SCHEMBL27767008 0.80 CYP17A1 (0.40) CYP17A1CYP11B2CYP11B1TRPV1SRD5A1
SCHEMBL2820948 0.78 CYP11B2 (0.56) CYP17A1CYP11B2CYP11B1CYP19A1HRH1
SCHEMBL9493435 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1CYP19A1KMT2A
SCHEMBL2817700 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1CYP19A1KMT2A
SCHEMBL9493247 0.77 CYP11B2 (0.43) CYP11B2ALDH1A1CYP19A1KMT2A
SCHEMBL27767010 0.76 CYP17A1 (0.41) CYP17A1CYP11B2CYP11B1TRPV1SRD5A1
SCHEMBL2818605 0.75 CYP17A1 (0.43) CYP17A1CYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL9492669 0.74 MTNR1B (0.54)

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 9 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

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 CYP17A1 3/4885PDE10A 1118/4885CYP11B2 6/4885

“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.