SCHEMBL793795

SCHEMBL793795

CCn1c2c(c3ccccc31)CC(C)N(c1cccnc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.48
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38
CYP11B1 P15538 2/20 0.37
PGR P06401 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.37
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 2/20 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
SCHEMBL798152 0.83 GSK3A (0.47) GSK3AGSK3BPDE5AALDH1A1KDM4E
SCHEMBL15471731 0.69 GSK3A (0.44) CYP11B2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL797994 0.67 MEN1 (0.48) GSK3AGSK3BPDE5AALDH1A1KDM4E
SCHEMBL797995 0.66 PDE5A (0.52) GSK3AGSK3BPDE5AALDH1A1KDM4E
SCHEMBL14992240 0.65 CYP11B2 (1.00) CYP11B2ALDH1A1CYP11B1TSHR
SCHEMBL14991999 0.65 CYP11B2 (1.00) CYP11B2ALDH1A1CYP11B1TSHR
SCHEMBL14991998 0.65 CYP11B2 (1.00) CYP11B2ALDH1A1CYP11B1TSHR
SCHEMBL16760200 0.64 CYP11B2 (0.68) CYP11B2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL14991538 0.64 CYP11B2 (0.63) CYP11B2ALDH1A1LMNACYP11B1HTT
SCHEMBL1606149 0.63 CYP11B2 (0.48) CYP11B2GSK3AGSK3BALDH1A1KDM4E

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 13 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 claimed
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
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 30/4885GSK3A 267/4885GSK3B 258/4885

“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.