SCHEMBL793377

SCHEMBL793377

Cc1ccncc1N1CCc2ccc(Cl)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.51
CYP11B1 P15538 10/20 0.51
TYMS P04818 1/20 0.39
F7 P08709 1/20 0.39
PARP1 P09874 1/20 0.39
F3 P13726 1/20 0.39
PARP10 Q53GL7 1/20 0.39
SRD5A1 P18405 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GRM1 Q13255 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
SCHEMBL15471694 0.88 MAPT (0.43) CYP11B2CYP11B1TYMSPARP1PARP10
SCHEMBL793801 0.87 CYP11B2 (0.50) CYP11B2CYP11B1F7PARP1F3
SCHEMBL797877 0.86 CYP11B2 (0.41) CYP11B2CYP11B1TYMS
SCHEMBL15467173 0.86 CYP11B2 (0.52) CYP11B2CYP11B1HTR2AHTR2CGRM1
SCHEMBL793768 0.85 CYP11B2 (0.41) CYP11B2CYP11B1TYMS
SCHEMBL807907 0.84 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL793208 0.83 CYP19A1 (0.44) CYP11B2CYP11B1TYMSSRD5A1HTR2A
SCHEMBL15466986 0.82 CYP11B2 (0.45) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL798816 0.82 ROCK1 (0.44) CYP11B2CYP11B1HTR2C
SCHEMBL15471705 0.82 CYP11B2 (0.40) CYP11B2CYP11B1HTR2C

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 10 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-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 18/4885TYMS 856/4885

“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.