SCHEMBL21360725

SCHEMBL21360725

COc1cc(Cl)c2c(c1)C(C)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
PDE7A Q13946 1/20 0.33
XDH P47989 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 1/20 0.32
MAPK14 Q16539 2/20 0.32
GAA P10253 1/20 0.32
EGFR P00533 3/20 0.31
NFE2L2 Q16236 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
SCHEMBL22477050 0.83 KDM4E (0.34) HTR2AHTR2CHTR2BXDHALDH1A1
SCHEMBL21360807 0.81 TAAR1 (0.34) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL5512979 0.71 HTR2C (0.53) HTR2AHTR2CHTR2BACHE
SCHEMBL25196987 0.70 ALDH1A1 (0.41) PDE7AXDHALDH1A1GRIN1GRIN2A
SCHEMBL30047417 0.70 ALDH1A1 (0.41) PDE7AXDHALDH1A1GRIN1GRIN2A
SCHEMBL21360735 0.69 ERN1 (0.38) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL6249142 0.68 HTR2C (0.51) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL21360741 0.67 TAAR1 (0.36) HTR2AHTR2CHTR2BGAA
SCHEMBL5951317 0.67 ACHE (0.54) ALDH1A1MAPTACHEMAPK14
SCHEMBL9571076 0.66 HTR2C (0.47) HTR2AHTR2CHTR2B

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 HTR2A 110/4885HTR2C 76/4885HTR2B 487/4885

“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.