SCHEMBL2417632

SCHEMBL2417632

CCOB(OCC)c1cncc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
HCAR2 Q8TDS4 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL25098761 0.82 CHRNB2 (0.35) CHRNB2CHRNA4HCAR2GAAHTT
SCHEMBL2419169 0.79 HCAR2 (0.33) HCAR2
SCHEMBL2424327 0.79 ATM (0.34) HCAR2
SCHEMBL2417143 0.76 CYP11B1 (0.38) CHRNB2CHRNA4
SCHEMBL2421639 0.76 CYP11B1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14983545 0.74
SCHEMBL14986004 0.70 ENPP2 (0.41) GAA
SCHEMBL4849535 0.68 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL315514 0.67 HCAR2 (0.43) CHRNB2CHRNA4HCAR2
SCHEMBL30310124 0.67 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282133-A decahydro-1H-indenoquinolinone and decahydro-3H-cyclopentaphenanthrenone CYP17 inhibitors 2011-12-14 CN disclosed
EP-2362872-A2 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS BioMarin Pharmaceutical Inc. (US) 2011-09-07 EP disclosed
WO-2010062506-A2 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-06-03 WO disclosed
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US 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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 CHRNB2 2616/4885CHRNA4 2669/4885HCAR2 1644/4885

“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.