SCHEMBL798005

SCHEMBL798005

Nc1cc2c(cc1F)CCN(c1cnccc1C(F)(F)F)C2=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.45
CYP11B1 P15538 3/20 0.45
OPRM1 P35372 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
KCNH2 Q12809 2/20 0.36
AOC3 Q16853 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP17A1 P05093 4/20 0.33
CYP19A1 P11511 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 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
SCHEMBL15467631 0.88 CYP11B2 (0.41) CYP11B2CYP11B1OPRM1SIGMAR1KCNH2
SCHEMBL807799 0.88 CYP11B2 (0.57) CYP11B2CYP11B1OPRM1SIGMAR1KCNH2
SCHEMBL794441 0.88 CYP11B2 (0.44) CYP11B2CYP11B1OPRM1SIGMAR1KCNH2
SCHEMBL798315 0.84 CYP11B2 (0.41) CYP11B2CYP11B1OPRM1SIGMAR1KCNH2
SCHEMBL794131 0.84 CYP11B2 (0.47) CYP11B2CYP11B1AOC3CYP17A1
SCHEMBL793430 0.84 CYP11B2 (0.52) CYP11B2CYP11B1OPRM1SIGMAR1CYP17A1
SCHEMBL807790 0.84 CYP11B2 (0.44) CYP11B2CYP11B1CYP19A1
SCHEMBL807908 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1HTR2AHTR2C
SCHEMBL793423 0.82 PARP1 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1HTR2A
SCHEMBL15471836 0.81 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1HTR2AHTR2C

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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP11B2 30/4885CYP11B1 18/4885OPRM1 3088/4885

“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.