SCHEMBL21360722

SCHEMBL21360722

COc1cc2c(cc1F)CC1CCCCCC2(C)C1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.58
▸ DRD5 P21918 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ POLA1 P09884 6/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM1A O60341 2/20 0.32

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
SCHEMBL11704751 0.90 OPRM1 (0.63) OPRM1OPRD1OPRK1POLA1EHMT2
SCHEMBL21360805 0.86 OPRM1 (0.58) OPRM1OPRD1OPRK1POLA1EHMT2
SCHEMBL22477265 0.84 OPRM1 (0.56) OPRM1OPRD1OPRK1POLA1EHMT2
SCHEMBL21360672 0.83 OPRM1 (0.67) OPRM1DRD5OPRD1OPRK1POLA1
SCHEMBL21360866 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1POLA1EHMT2
SCHEMBL21424663 0.79 OPRM1 (0.69) OPRM1OPRK1POLA1ALDH1A1KMT2A
SCHEMBL11700409 0.79 OPRM1 (0.69) OPRM1OPRK1POLA1ALDH1A1KMT2A
SCHEMBL21424563 0.79 OPRM1 (0.69) OPRM1OPRK1POLA1ALDH1A1KMT2A
SCHEMBL21042348 0.79 OPRM1 (0.69) OPRM1OPRK1POLA1ALDH1A1KMT2A
SCHEMBL11700412 0.79 OPRM1 (0.69) OPRM1OPRK1POLA1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401306-B1 DEZOCINE ANALOGUE SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2020-09-30 — — EP disclosed
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 9/4885DRD5 232/4885OPRD1 359/4885

“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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