SCHEMBL21424663

SCHEMBL21424663

COc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.69
▸ POLA1 P09884 4/20 0.51
▸ HSD11B1 P28845 1/20 0.47
▸ GRIN1 Q05586 4/20 0.46
▸ GRIN2A Q12879 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ SLC22A1 O15245 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GRIN2D O15399 3/20 0.45
▸ GRIN3B O60391 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ GRIN2C Q14957 3/20 0.45
▸ GRIN3A Q8TCU5 3/20 0.45
▸ SLC6A4 P31645 2/20 0.45

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
SCHEMBL21424563 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11700409 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11701569 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL21042348 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL10411280 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11700412 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699713 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699767 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699763 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11702702 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A

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
US-10596268-B2 Conjugate of dezocine and polyethylene glycol JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2020-03-24 — — US disclosed
US-20190298845-A1 CONJUGATE OF DEZOCINE AND POLYETHYLENE GLYCOL JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2019-10-03 — — 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 (2 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-10596268-B2 Conjugate of dezocine and polyethylene glycol OPRM1, DAO, DDO OPRM1 1/4885POLA1 2579/4885HSD11B1 3889/4885
US-20190298845-A1 CONJUGATE OF DEZOCINE AND POLYETHYLENE GLYCOL OPRM1, DAO, DDO OPRM1 1/4885POLA1 2579/4885HSD11B1 3889/4885

“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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