SCHEMBL29462490

SCHEMBL29462490

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.69
▸ TBXA2R P21731 1/20 0.69
▸ PTGS1 P23219 1/20 0.69
▸ OPRM1 P35372 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ SLC18A2 Q05940 7/20 0.65
▸ HTR2A P28223 1/20 0.62

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
SCHEMBL29462487 1.00 HTR1A (0.69) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL28414400 1.00 HTR1A (0.69) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL29462489 1.00 HTR1A (0.69) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL22579521 0.87 HTR1A (0.75) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL871310 0.87 HTR1A (0.70) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL10018916 0.87 HTR1A (0.77) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL18107625 0.86 SLC18A2 (0.84) SLC18A2
SCHEMBL873306 0.86 HTR1A (0.71) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL10018923 0.85 HTR1A (0.78) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL10018919 0.85 HTR1A (0.78) HTR1ATBXA2RPTGS1OPRM1KCNH2

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-11306082-B2 Esters of dihydrotetrabenazine FORESEE PHARMACEUTICALS CO., LTD. (TW) 2022-04-19 — — 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-11306082-B2 Esters of dihydrotetrabenazine CD4, CD2, NFATC1 HTR1A 2856/4885TBXA2R 229/4885PTGS1 2986/4885

“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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