SCHEMBL21064446

SCHEMBL21064446

CN1CC(O)(c2cccc(OC(C)(C)C)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR6 P51684 3/20 0.35
KCNH2 Q12809 3/20 0.35
GRIN2B Q13224 7/20 0.34
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21241861 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL22646520 0.83 OPRD1 (0.55) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL30913193 0.72 SLC6A4 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL30913192 0.72 SLC6A4 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29282118 0.72 SLC6A4 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9966015 0.70 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL260934 0.70 KIF11 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31084094 0.70 ALDH1A1 (0.52) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10389866 0.68 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1802320 0.67 CYP3A4 (0.53) ALDH1A1

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-10307426-B2 Therapeutic compounds and compositions, and methods of use thereof GENENTECH, INC. (US) 2019-06-04 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-10307426-B2 Therapeutic compounds and compositions, and methods of use thereof JAK2, JAK1, JAK3 OPRM1 3325/4885OPRD1 3797/4885OPRK1 1497/4885

“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.