SCHEMBL2215868

SCHEMBL2215868

CCc1cncc(OBOc2cncc(CC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
GGPS1 O95749 2/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
GCK P35557 1/20 0.31
KCNH2 Q12809 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
SCHEMBL91481 0.79 CYP11B1 (0.46) CHRNB2CHRNA4CYP11B1CYP11B2KCNH2
SCHEMBL8184696 0.78 CHRNB2 (0.51) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL2214269 0.76 CYP11B1 (0.44) CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL240843 0.75 SMYD3 (0.39) CHRNB2CHRNA4SMYD3
SCHEMBL17828136 0.74 CHRNB2 (0.44) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL2216621 0.73 CHRNB2 (0.40) CHRNB2CHRNA4GGPS1
SCHEMBL17828152 0.73 GRIN1 (0.41) CHRNB2CHRNA4GGPS1
SCHEMBL4882706 0.73 CHRNB2 (0.41) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL768929 0.72 ATM (0.38) CHRNB2CHRNA4GCK
SCHEMBL1863295 0.72 CYP1A1 (0.48) CHRNB2CHRNA4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 CHRNB2 3446/4885CHRNA4 4426/4885GGPS1 1601/4885

“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.