SCHEMBL14152240

SCHEMBL14152240

CC(C)(O)c1cc(F)ncc1-c1ccc2cc(C#N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.47
CYP17A1 P05093 1/20 0.41
ABL1 P00519 3/20 0.39
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA3 P34903 4/20 0.36
SLC22A12 Q96S37 4/20 0.36
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GABRA2 P47869 2/20 0.34
GABRA5 P31644 2/20 0.34
TNF P01375 1/20 0.34
HPGDS O60760 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
SCHEMBL6920943 0.76 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1ABL1SLC22A12
SCHEMBL1769941 0.66 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1ABL1SLC22A12
SCHEMBL24617115 0.65 CYP11B1 (0.46) CYP11B2CYP11B1CYP17A1SLC22A12PTPN1
SCHEMBL21928351 0.64 CHRNB2 (0.44) CYP11B2CYP11B1
SCHEMBL24617136 0.64 KIF11 (0.70) CYP11B2CYP11B1CYP17A1HRH3
SCHEMBL27113406 0.63 CYP11B1 (0.41) CYP11B2CYP11B1CYP17A1ABL1SLC22A12
SCHEMBL5477144 0.63 CYP11B1 (0.61) CYP11B2CYP11B1CYP17A1HRH3
SCHEMBL16454402 0.62 CYP11B2 (0.50) CYP11B2SLC22A12
SCHEMBL6919942 0.62 CYP11B2 (0.66) CYP11B2CYP11B1CYP17A1ABL1SLC22A12
SCHEMBL17816210 0.62 KIF11 (0.49) CYP11B2SLC22A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885CYP17A1 3/4885

“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.