SCHEMBL21360727

SCHEMBL21360727

COc1ccc2c(c1F)C(C)C(O)CC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
NQO2 P16083 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CETP P11597 1/20 0.37
DRD2 P14416 2/20 0.36
PDE1B Q01064 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL21360734 0.74 BRD4 (0.38) PIN1NQO2MTNR1AMTNR1BCETP
SCHEMBL22477091 0.72 HTR2A (0.51) NQO2MTNR1AMTNR1BDRD2
SCHEMBL25675770 0.66 DRD2 (0.50) DRD2
SCHEMBL14367929 0.66 DRD2 (0.50) DRD2
SCHEMBL14169776 0.66 DRD2 (0.50) DRD2
SCHEMBL19419825 0.66 DRD2 (0.50) DRD2
SCHEMBL31040167 0.66 NQO2 (0.36) NQO2MTNR1AMTNR1BDRD2ADRA1A
SCHEMBL20170607 0.64 OPRM1 (0.37) NQO2MTNR1AMTNR1B
SCHEMBL20170652 0.64 OPRM1 (0.37) NQO2MTNR1AMTNR1B
SCHEMBL15682035 0.63 CA2 (0.47) NQO2TSHRADRA1A

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 PIN1 329/4885NQO2 502/4885MTNR1A 239/4885

“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.