SCHEMBL21360866

SCHEMBL21360866

COc1cc2c(cc1C#N)CC1CCCCCC2(C)C1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.55
▸ HTR2A P28223 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AR P10275 2/20 0.35
▸ POLA1 P09884 6/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ NR3C2 P08235 1/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.30

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 0.87 OPRM1 (0.63) OPRM1GAAALOX12HTTSMN1; SMN2
SCHEMBL21360785 0.84 OPRM1 (0.63) OPRM1POLA1OPRD1OPRK1
SCHEMBL21360822 0.84 OPRM1 (0.63) OPRM1POLA1OPRD1OPRK1
SCHEMBL21360722 0.83 OPRM1 (0.58) OPRM1GAAHTTPOLA1OPRD1
SCHEMBL21360805 0.83 OPRM1 (0.58) OPRM1HTR2AGAAPOLA1OPRD1
SCHEMBL22477265 0.81 OPRM1 (0.56) OPRM1GAAPOLA1OPRD1OPRK1
SCHEMBL21042348 0.76 OPRM1 (0.69) OPRM1HTR2APOLA1OPRK1ALDH1A1
SCHEMBL21424663 0.76 OPRM1 (0.69) OPRM1HTR2APOLA1OPRK1ALDH1A1
SCHEMBL21424563 0.76 OPRM1 (0.69) OPRM1HTR2APOLA1OPRK1ALDH1A1
SCHEMBL11700412 0.76 OPRM1 (0.69) OPRM1HTR2APOLA1OPRK1ALDH1A1

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 9/4885HTR2A 110/4885GAA 1688/4885

“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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