SCHEMBL9950979

SCHEMBL9950979

CCc1nc(C)c(CCC2(c3ccccc3)CC2CO)s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
OPRK1 P41145 1/20 0.33
COMT P21964 1/20 0.32
OPRM1 P35372 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
SCHEMBL16628838 0.72 HCRTR1 (0.40) OPRK1
SCHEMBL2116752 0.72 HCRTR1 (0.40) OPRK1
SCHEMBL2610464 0.72 HCRTR1 (0.40) OPRK1
SCHEMBL2116748 0.72 HCRTR1 (0.40) OPRK1
SCHEMBL9951353 0.71 HCRTR2 (0.61)
SCHEMBL9950074 0.70
SCHEMBL9950072 0.70
SCHEMBL9950483 0.67 MAPT (0.38) GAAOPRK1
SCHEMBL9950472 0.66 OPRK1 (0.55) GAAOPRK1OPRM1
SCHEMBL260055 0.66 CYP1A2 (0.37) GAACOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 GAA 4346/4885OPRK1 61/4885COMT 2128/4885

“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.