SCHEMBL798152

SCHEMBL798152

CCn1c2c(c3ccccc31)CC(C)N(c1cnccc1C)C2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.47
GSK3B P49841 4/20 0.47
PDE5A O76074 3/20 0.41
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK14 Q16539 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR3A P46098 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 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
SCHEMBL15471731 0.86 GSK3A (0.44) GSK3AGSK3BALDH1A1CHRM1HTR3A
SCHEMBL793795 0.83 CYP11B2 (0.48) GSK3AGSK3BPDE5ALMNAHPGD
SCHEMBL797995 0.79 PDE5A (0.52) GSK3AGSK3BPDE5AALDH1A1MAPK14
SCHEMBL797994 0.66 MEN1 (0.48) GSK3AGSK3BPDE5AHPGDHTT
SCHEMBL19009222 0.62 MAOA (0.68) LMNAHPGDMAPK1HTTALDH1A1
SCHEMBL2220005 0.62 ALDH1A1 (0.55) LMNAHPGDMAPK1HTTALDH1A1
SCHEMBL3780265 0.61 ADORA3 (0.37) CHRM1
SCHEMBL793794 0.61 HTR2A (0.41) LMNAALDH1A1MAPT
SCHEMBL797767 0.60 PDE5A (0.52) GSK3AGSK3BPDE5ALMNAHPGD
SCHEMBL16760200 0.60 CYP11B2 (0.68) GSK3AGSK3BLMNAHPGDHTT

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 8 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
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
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

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 GSK3A 267/4885GSK3B 258/4885PDE5A 716/4885

“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.