SCHEMBL3002742

SCHEMBL3002742

CCOC(=O)N1CCC(O)(c2cnn(-c3ccccc3)c2C(OC)OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APP P05067 4/20 0.42
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL3002746 0.79 KCNH2 (0.35) —
SCHEMBL3009508 0.73 KCNH2 (0.68) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL9528495 0.71 APP (0.66) L3MBTL1ALDH1A1APP
SCHEMBL4981287 0.69 L3MBTL1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2KDM4EAPP
SCHEMBL6816262 0.69 L3MBTL1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2KDM4EAPP
SCHEMBL7570603 0.69 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2APPTSHR
SCHEMBL9310449 0.68 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4EHSD17B10APP
SCHEMBL14107981 0.68 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2KDM4EAPP
SCHEMBL9312413 0.67 L3MBTL1 (0.65) L3MBTL1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5824190 0.67 L3MBTL1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2KDM4EAPP

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 10 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
EP-2144915-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-01-20 — — EP disclosed
WO-2008125349-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-23 — — WO 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
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 L3MBTL1 4868/4885ALDH1A1 454/4885SMN1; SMN2 4110/4885

“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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