SCHEMBL2217899

SCHEMBL2217899

CCCC[Sn](CCCC)(CCCC)c1cncc(CC)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 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
SCHEMBL2416251 0.80
SCHEMBL2570605 0.79 CDK2 (0.35)
SCHEMBL1763395 0.79 CDK2 (0.35)
SCHEMBL458641 0.76
SCHEMBL31015214 0.76 DNM2 (0.31)
SCHEMBL906610 0.75 KCNH2 (0.43)
SCHEMBL15401167 0.75
SCHEMBL2418880 0.75 MAPT (0.32)
SCHEMBL31014356 0.72 PDE10A (0.36)
SCHEMBL12615302 0.72

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
EP-2362872-A2 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS BioMarin Pharmaceutical Inc. (US) 2011-09-07 EP disclosed
US-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 US disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 WO 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 (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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 HRH3 4745/4885
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 HRH3 3857/4885

“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.