SCHEMBL793750

SCHEMBL793750

Cc1ccncc1N1CCc2cc(O)c(Cl)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.46
CYP11B1 P15538 8/20 0.46
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
P2RX7 Q99572 1/20 0.37
CYP17A1 P05093 1/20 0.37
HTR2B P41595 1/20 0.36
GRM1 Q13255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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 0.91 CYP11B2 (0.52) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL807910 0.86 CYP11B2 (0.59) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL15471847 0.86 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL793106 0.85 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL794032 0.84 CYP11B2 (0.44) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL15467436 0.84 CYP17A1 (0.50) CYP11B2CYP11B1CYP17A1
SCHEMBL798105 0.84 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL15471852 0.84 CYP11B2 (0.46) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL793768 0.82 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL793377 0.82 CYP11B2 (0.51) CYP11B2CYP11B1HTR2AHTR2CGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 18/4885HTR2A 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.