SCHEMBL793205

SCHEMBL793205

Cc1ccncc1N1CCc2ccc(OC(F)(F)F)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CHRM5 P08912 7/20 0.39
PDE2A O00408 2/20 0.39
PDE7A Q13946 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
HTR2C P28335 3/20 0.38
CRHR1 P34998 2/20 0.37
HTR2B P41595 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 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
SCHEMBL793208 0.87 CYP19A1 (0.44) CYP11B1CYP11B2HTR2CHTR2B
SCHEMBL793449 0.84 PARP1 (0.42) PDE10ACYP11B1CYP11B2HTR2CHTR2B
SCHEMBL798658 0.82 JAK2 (0.38) HTR2CHTR2B
SCHEMBL15471694 0.82 MAPT (0.43) CYP11B1CYP11B2HTR2CHTR2B
SCHEMBL793755 0.82 PRMT5 (0.37) CYP11B1CYP11B2
SCHEMBL797877 0.81 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL807968 0.81 F10 (0.41)
SCHEMBL793768 0.80 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL793377 0.80 CYP11B2 (0.51) CYP11B1CYP11B2HTR2C
SCHEMBL807907 0.79 CYP11B2 (0.43) CYP11B1CYP11B2HTR2C

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 5 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-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 PDE10A 1888/4885CYP11B1 18/4885CYP11B2 30/4885

“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.