SCHEMBL21360690

SCHEMBL21360690

CC(C)c1cc2c(cc1O)C1(C)CCCCCC(C2)C1N

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.65
▸ KARS1 Q15046 1/20 0.48
▸ OPRK1 P41145 7/20 0.40
▸ OPRD1 P41143 5/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ NR1I2 O75469 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GGPS1 O95749 1/20 0.31
▸ FDPS P14324 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
SCHEMBL21360678 1.00 OPRM1 (0.65) OPRM1KARS1OPRK1OPRD1SOD1
SCHEMBL21360719 0.87 OPRM1 (0.74) OPRM1KARS1OPRK1OPRD1
SCHEMBL21360674 0.84 OPRM1 (0.69) OPRM1KARS1OPRK1OPRD1CYP19A1
SCHEMBL22477265 0.84 OPRM1 (0.56) OPRM1KARS1OPRK1OPRD1NR1I2
SCHEMBL22477177 0.83 OPRM1 (0.67) OPRM1KARS1OPRK1OPRD1CYP19A1
SCHEMBL21360672 0.83 OPRM1 (0.67) OPRM1KARS1OPRK1OPRD1CYP19A1
SCHEMBL21360675 0.83 OPRM1 (0.67) OPRM1KARS1OPRK1OPRD1CYP19A1
SCHEMBL21360769 0.82 OPRM1 (0.66) OPRM1KARS1OPRK1OPRD1HSP90AA1
SCHEMBL21360721 0.81 OPRM1 (0.65) OPRM1KARS1OPRK1OPRD1
SCHEMBL21360822 0.80 OPRM1 (0.63) OPRM1KARS1OPRK1OPRD1

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-10414718-B2 Dezocine analogue SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2019-09-17 — — 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-10414718-B2 Dezocine analogue DDO, DDC, DAO OPRM1 9/4885KARS1 2504/4885OPRK1 93/4885

“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.

Send feedback