SCHEMBL798873

SCHEMBL798873

Cc1ccncc1N1CCc2ccc(F)c(Cl)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.39
CYP11B1 P15538 7/20 0.39
P2RX7 Q99572 2/20 0.38
CYP17A1 P05093 2/20 0.35
PIK3CD O00329 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
BCL2A1 Q16548 1/20 0.32
EZH2 Q15910 1/20 0.32

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
SCHEMBL793691 0.86 P2RX7 (0.40) CYP11B2CYP11B1P2RX7CYP17A1HTR2A
SCHEMBL15467686 0.80 CYP17A1 (0.34) CYP11B2CYP11B1P2RX7CYP17A1
SCHEMBL15467685 0.80 CYP17A1 (0.35) CYP11B2CYP11B1P2RX7CYP17A1
SCHEMBL793672 0.80 HTR2C (0.35) CYP11B2CYP11B1P2RX7CYP17A1HTR2A
SCHEMBL793377 0.79 CYP11B2 (0.51) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL807910 0.78 CYP11B2 (0.59) CYP11B2CYP11B1P2RX7CYP17A1HTR2A
SCHEMBL12467032 0.77 CYP11B2 (0.52) CYP11B2CYP11B1P2RX7CYP17A1
SCHEMBL793787 0.77 CYP11B2 (0.35) CYP11B2CYP11B1CYP17A1
SCHEMBL794188 0.75 PDE4A (0.36) CYP11B2P2RX7CYP17A1
SCHEMBL807907 0.75 CYP11B2 (0.43) 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 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 18/4885P2RX7 4321/4885

“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.