SCHEMBL793787

SCHEMBL793787

Cc1ccncc1N1CCc2ccc3ccccc3c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP17A1 P05093 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PDE9A O76083 2/20 0.33
CASP3 P42574 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
SCHEMBL798870 0.78 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1DDB1CRBN
SCHEMBL793691 0.77 P2RX7 (0.40) CYP11B2CYP11B1CYP17A1HTR2B
SCHEMBL798873 0.77 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1
SCHEMBL794339 0.76 CYP17A1 (0.37) CYP17A1DRD2DRD4DRD3HTR2B
SCHEMBL793672 0.75 HTR2C (0.35) CYP11B2CYP11B1CYP17A1HTR2B
SCHEMBL807995 0.75 CYP11B2 (0.42) CYP11B2CYP11B1
SCHEMBL807907 0.75 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1DRD2
SCHEMBL12315371 0.74 SCN9A (0.49) CYP17A1
SCHEMBL793874 0.74 CHRM1 (0.41) CYP11B2CYP11B1
SCHEMBL15471694 0.73 MAPT (0.43) CYP11B2CYP11B1HTR2B

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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP 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
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.