SCHEMBL793573

SCHEMBL793573

Ic1cnccc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.37
CYP17A1 P05093 13/20 0.36
RPS6KA3 P51812 2/20 0.36
CYP11B2 P19099 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34

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
SCHEMBL20334567 0.83 CHRNB2 (0.36) OPRL1CYP17A1CYP11B2HIPK2
SCHEMBL526318 0.74 OPRL1 (0.37) OPRL1CYP17A1RPS6KA3CYP11B2HIPK2
SCHEMBL29517316 0.74 AOC1 (0.42) OPRL1CYP17A1
SCHEMBL793757 0.74 AOC1 (0.42) OPRL1CYP17A1
SCHEMBL16132536 0.74 OPRL1 (0.57) OPRL1CYP17A1
SCHEMBL29410681 0.74 RPS6KA3 (0.42) OPRL1CYP17A1RPS6KA3HIPK2
Ammonia Solution, Strong SCHEMBL22749582 0.72 AOC1 (0.41) OPRL1CYP17A1
Hydrochloric Acid SCHEMBL9953248 0.72 AOC1 (0.44) OPRL1CYP17A1
SCHEMBL10716565 0.71 CHRNB2 (0.37) OPRL1CYP17A1RPS6KA3CYP11B2
SCHEMBL27285547 0.71 CA12 (0.41) OPRL1CYP17A1RPS6KA3

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
CN-103649073-B 17 α-hydroxylase/C 17,20-lyase inhibitor NOVARTIS AG (CH) 2016-04-13 CN disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 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-2013084138-A1 CYCLIC UREA DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-06-13 WO disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO 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
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 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 (2 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-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 OPRL1 2818/4885CYP17A1 1/4885RPS6KA3 2332/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 OPRL1 2665/4885CYP17A1 1/4885RPS6KA3 2458/4885

“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.