SCHEMBL807907

SCHEMBL807907

Cc1ccncc1N1CCc2ccncc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.43
CYP11B1 P15538 7/20 0.43
HTR2A P28223 4/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
MAPT P10636 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR2C P28335 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA5 P31644 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL798870 0.89 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL807995 0.89 CYP11B2 (0.42) CYP11B2CYP11B1MAPT
SCHEMBL15471694 0.87 MAPT (0.43) CYP11B2CYP11B1HTR2AMAPTHTR2C
SCHEMBL797877 0.85 CYP11B2 (0.41) CYP11B2CYP11B1MAPT
SCHEMBL793377 0.84 CYP11B2 (0.51) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL793768 0.84 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL15466773 0.84 CYP11B2 (0.47) CYP11B2CYP11B1HTR2AMAPTHTR2C
SCHEMBL15467173 0.83 CYP11B2 (0.52) CYP11B2CYP11B1HTR2ACYP17A1HTR2C
SCHEMBL12467032 0.83 CYP11B2 (0.52) CYP11B2CYP11B1MAPTCYP17A1
SCHEMBL15467046 0.83 CYP11B2 (0.41) CYP11B2CYP11B1HTR2AMAPTHTR2C

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 7 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
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.