SCHEMBL20201328

SCHEMBL20201328

CC(C)C1(O)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2A P28223 1/20 0.36
PDK2 Q15119 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33
NOTUM Q6P988 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6263925 0.74 LMNA (0.38) OPRM1OPRD1OPRK1OPRL1
Indanorex SCHEMBL162653 0.73 DPP8 (0.38) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL4644536 0.72 HTR2A (0.37) HTR2AHDAC9L3MBTL1
SCHEMBL26605092 0.71 HTR2A (0.36) HTR2AL3MBTL1
SCHEMBL8162156 0.71 HDAC9 (0.39) HDAC9
SCHEMBL27498922 0.70 HTR2A (0.35) HTR2AHDAC9L3MBTL1
Methane SCHEMBL29046923 0.70 HTR2A (0.35) HTR2AHDAC9L3MBTL1
Methyl Alcohol SCHEMBL28424110 0.70 HTR2A (0.35) HTR2AHDAC9L3MBTL1
SCHEMBL26605081 0.70 HDAC9 (0.41) OPRK1HDAC9NOTUML3MBTL1
SCHEMBL14707572 0.69 SMN1; SMN2 (0.34) OPRM1OPRD1OPRL1HRH3

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-20180148409-A1 CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF UBE CORPORATION (JP) 2018-05-31 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-20180148409-A1 CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885OPRK1 3/4885

“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.