SCHEMBL2216611

SCHEMBL2216611

CCB(CC)c1cncc(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1303307 0.79 LPL (0.48) SMYD3CHRNB2CHRNA4MAPTHTT
SCHEMBL8931090 0.77 HCAR2 (0.36)
SCHEMBL240843 0.77 SMYD3 (0.39) SMYD3CHRNB2CHRNA4MAPTHTT
SCHEMBL1942394 0.72 CYP11B1 (0.39) CHRNB2CHRNA4
SCHEMBL1942335 0.72 CYP11B1 (0.33)
SCHEMBL20312299 0.70 CYP19A1 (0.31)
SCHEMBL1942145 0.69 ATM (0.41) CHRNB2CHRNA4
SCHEMBL4783955 0.69
SCHEMBL30768308 0.69
SCHEMBL845159 0.67 MAPT (0.37) SMYD3CHRNB2CHRNA4MAPTHTT

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 SMYD3 4495/4885CHRNB2 3446/4885CHRNA4 4426/4885

“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.