SCHEMBL7003941

SCHEMBL7003941

CCN[C@H]1Cc2ccc(O)cc2[C@]2(CC)CCCC[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.44
▸ OPRD1 P41143 7/20 0.44
▸ OPRK1 P41145 6/20 0.44
▸ GRIN2D O15399 3/20 0.44
▸ GRIN3B O60391 3/20 0.44
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ GRIN2C Q14957 3/20 0.44
▸ GRIN3A Q8TCU5 3/20 0.44
▸ SLC22A1 O15245 3/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SCN1A P35498 2/20 0.44
▸ MRGPRX2 Q96LB1 2/20 0.44
▸ SCN2A Q99250 2/20 0.44
▸ SCN3A Q9NY46 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL22891911 0.89 OPRM1 (0.45) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL23836805 0.84 GRIN1 (0.47) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL6900789 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL6899812 0.78 NR1H2 (0.43) OPRM1OPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL23329693 0.76 GFER (0.45) SIGMAR1ALDH1A1LMNA
SCHEMBL11699756 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11704239 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11699749 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11701292 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL23329599 0.73 OPRM1 (0.38) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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-20120122848-A1 (+)-3-HYDROXYMORPHINAN DERIVATIVES AS NEUROPROTECTANTS GREEN CROSS CORPORATION (KR) 2012-05-17 — — 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-20120122848-A1 (+)-3-HYDROXYMORPHINAN DERIVATIVES AS NEUROPROTECTANTS GAP43, HTT, NLN OPRM1 7/4885OPRD1 22/4885OPRK1 23/4885

“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.

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