SCHEMBL793461

SCHEMBL793461

Cc1ccncc1N1CCc2cc(C(F)(F)F)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.43
CYP11B1 P15538 8/20 0.43
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
NOTUM Q6P988 1/20 0.40
CYP19A1 P11511 1/20 0.40
JAK2 O60674 2/20 0.39
SRC P12931 1/20 0.39
CYP17A1 P05093 2/20 0.39
PDE10A Q9Y233 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL793449 0.91 PARP1 (0.42) CYP11B2CYP11B1HTR2AHTR2CNOTUM
SCHEMBL793824 0.86 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL15466773 0.84 CYP11B2 (0.47) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL793106 0.82 CYP11B2 (0.48) CYP11B2CYP11B1CYP19A1
SCHEMBL807995 0.81 CYP11B2 (0.42) CYP11B2CYP11B1
SCHEMBL15471852 0.81 CYP11B2 (0.46) CYP11B2CYP11B1HTR2AHTR2CCYP17A1
SCHEMBL12467032 0.81 CYP11B2 (0.52) CYP11B2CYP11B1CYP17A1
SCHEMBL793336 0.81 CYP19A1 (0.45) CYP11B2CYP11B1CYP19A1
SCHEMBL15466916 0.80 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL798870 0.79 CYP11B2 (0.47) CYP11B2CYP11B1CYP19A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US claimed
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
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 18/4885HTR2A 3716/4885

“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.