SCHEMBL3009508

SCHEMBL3009508

CCOC(=O)N1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.68
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3005351 0.81 KCNH2 (1.00) KCNH2
SCHEMBL3002693 0.80 KCNH2 (1.00) KCNH2
SCHEMBL3010186 0.78 KCNH2 (0.69) KCNH2
SCHEMBL3009511 0.73 KCNH2 (0.48) KCNH2ALDH1A1
SCHEMBL3002742 0.73 L3MBTL1 (0.47) LMNATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4975673 0.69 SIGMAR1 (0.54) KCNH2
SCHEMBL11860423 0.69 SIGMAR1 (0.54) KCNH2ALDH1A1
SCHEMBL3005291 0.67 — —
SCHEMBL4978011 0.67 SIGMAR1 (0.51) —
SCHEMBL3022523 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
WO-2008125349-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-23 — — WO disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — 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-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES SIGMAR1, TMEM97, OPRD1 KCNH2 645/4885LMNA 2526/4885THRB 78/4885

“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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