SCHEMBL798105

SCHEMBL798105

Cc1ccncc1N1CCc2cc(C#N)c(Cl)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.43
CYP11B1 P15538 8/20 0.43
CYP17A1 P05093 1/20 0.37
HTR2C P28335 4/20 0.37
HTR2A P28223 3/20 0.37
P2RX7 Q99572 1/20 0.36
HTR2B P41595 1/20 0.35
GRM1 Q13255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL15467173 0.88 CYP11B2 (0.52) CYP11B2CYP11B1CYP17A1HTR2CHTR2A
SCHEMBL797446 0.86 CYP17A1 (0.48) CYP11B2CYP11B1CYP17A1
SCHEMBL793750 0.84 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1HTR2CHTR2A
SCHEMBL807910 0.84 CYP11B2 (0.59) CYP11B2CYP11B1CYP17A1HTR2CHTR2A
SCHEMBL794032 0.82 CYP11B2 (0.44) CYP11B2CYP11B1HTR2CHTR2AHTR2B
SCHEMBL15466986 0.81 CYP11B2 (0.45) CYP11B2CYP11B1HTR2CHTR2A
SCHEMBL15471847 0.81 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1HTR2CHTR2A
SCHEMBL15471852 0.81 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1HTR2CHTR2A
SCHEMBL793377 0.80 CYP11B2 (0.51) CYP11B2CYP11B1HTR2CHTR2AGRM1
SCHEMBL15467046 0.78 CYP11B2 (0.41) CYP11B2CYP11B1HTR2CHTR2A

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 14 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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP claimed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN claimed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN 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 18/4885CYP17A1 1/4885

“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.