SCHEMBL5530477

SCHEMBL5530477

CCc1sc(C(C)(C)C)nc1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25164661 0.81 PPARD (0.37) CYP1A2HRH2HRH1HRH4
SCHEMBL13306767 0.78 ALDH1A1 (0.31) CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL22966526 0.72 SIGMAR1 (0.37) CNR1CNR2HRH1
SCHEMBL10220328 0.72 NOS1 (0.44) CNR1CNR2KMT2A
SCHEMBL755570 0.72
SCHEMBL22966583 0.71 TSHR (0.38) HRH1SMN1; SMN2
SCHEMBL22966581 0.71 GSR (0.37) CNR1CNR2KMT2AMEN1
SCHEMBL10227000 0.70 KMT2A (0.54) CNR1CNR2KMT2A
SCHEMBL12806717 0.70
SCHEMBL15796727 0.70 COMT (0.42) CYP1A2HRH2HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 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-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CNR1 925/4885CNR2 683/4885CYP1A2 1067/4885

“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.