SCHEMBL2655331

SCHEMBL2655331

O=[N+]([O-])c1ccc(C2(CO)CC2)c(C2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.59
▸ SLC18A3 Q16572 2/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ EPHX1 P07099 1/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36

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
SCHEMBL2653810 0.77 PTGDR2 (0.46) —
SCHEMBL2652954 0.75 PTGS2 (0.45) PNMTALDH1A1
SCHEMBL6612675 0.75 ALDH1A1 (0.44) HIF1AADRA2APNMTALDH1A1L3MBTL1
SCHEMBL11341964 0.75 HSP90AA1 (1.00) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3
SCHEMBL2653857 0.73 PNMT (0.37) POLBPNMT
SCHEMBL6903614 0.73 HSP90AA1 (0.69) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3
SCHEMBL3475099 0.71 HSP90AA1 (0.67) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3
SCHEMBL9097323 0.70 HSP90AA1 (0.65) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3
SCHEMBL9097312 0.70 HSP90AA1 (0.65) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3
SCHEMBL4327533 0.70 HSP90AA1 (0.65) HSP90AA1SLC18A3RAB9ACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 — — US disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 — — US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO 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-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 HSP90AA1 1253/4885SLC18A3 2036/4885RAB9A 3899/4885

“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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