SCHEMBL13774762

SCHEMBL13774762

O=C(O[C@H]1C[C@@H]2CC3(C[C@@H]2C1)OCCO3)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 5/20 0.51
▸ GAA P10253 1/20 0.50
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL1584062 0.87 GAA (0.52) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL4152261 0.80 CHRNA7 (0.65) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL12127600 0.79 KMT2A (0.52) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL9687625 0.77 GAA (0.37) GAATSHRAPOBEC3AAPOBEC3G
SCHEMBL10729081 0.76 RAB9A (0.48) GAATSHRAPOBEC3AAPOBEC3GKMT2A
SCHEMBL21164349 0.76 CHRNA7 (0.56) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL18612809 0.76 CHRNA7 (0.56) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL18608149 0.75 CHRNA7 (0.59) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL18607904 0.75 CHRNA7 (0.59) CHRNA7GAAHTR3EHTR3BHTR3A
SCHEMBL904139 0.74 CHRNA7 (0.62) CHRNA7GAAHTR3EHTR3BHTR3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176847-A1 Dicyclooctane Derivatives, Preparation Processes and Medical Uses Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2009-07-09 — — US disclosed
US-20090176847-A1 Dicyclooctane Derivatives, Preparation Processes and Medical Uses Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2009-07-09 — — US disclosed
EP-2006284-A1 DICYCLOOCTANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2008-12-24 — — EP 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-20090176847-A1 Dicyclooctane Derivatives, Preparation Processes and Medical Uses Thereof DPP4, DPP7, DPP8 CHRNA7 4105/4885GAA 182/4885HTR3E 2488/4885

“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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