SCHEMBL4881147

SCHEMBL4881147

[c]1sccc1C1CCCO1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL1607495 0.95 KCNH2 (0.31) KCNH2HRH3
SCHEMBL4683726 0.68 KCNH2 (0.31) KCNH2HRH3
SCHEMBL3683950 0.67 GAA (0.32) GAASMN1; SMN2KCNH2HRH3
SCHEMBL467080 0.67 SMN1; SMN2 (0.35) GAASMN1; SMN2KCNH2HRH3
SCHEMBL19662088 0.66 KCNH2 (0.50) GAASMN1; SMN2KCNH2HRH3
SCHEMBL1607384 0.64 HRH1 (0.35) GAASMN1; SMN2HSD17B10L3MBTL1
SCHEMBL533266 0.64 KCNH2 (0.42) GAASMN1; SMN2HSD17B10L3MBTL1KCNH2
SCHEMBL12917336 0.64 KDM4E (0.40) GAASMN1; SMN2HSD17B10L3MBTL1KCNH2
SCHEMBL2044222 0.64 SMN1; SMN2 (0.43) GAASMN1; SMN2HSD17B10L3MBTL1
SCHEMBL28181487 0.63 SMN1; SMN2 (0.42) GAASMN1; SMN2HSD17B10L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514157-A 2002-05-14 JP claimed
US-6346536-B1 BENZOPYRANOISOQUINOLONE DERIVATIVES; NEURODEGENERATIVE AND BRAIN DISORDERS; REPERFUSION INJURIES; ANTIISCHEMIC AGENTS GUILFORD PHARMACEUTICALS INC. 2002-02-12 US claimed
EP-0957924-A4 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2000-04-12 EP claimed
EP-0957924-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP claimed
WO-1997048399-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-5278162-A Learning enhancement THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-01-11 US claimed
EP-1697345-B1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2008-03-12 EP disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1761526-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2007027454-A1 HETEROCYCLIC DIHYDROPYRIMIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
EP-1755610-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE AstraZeneca AB (SE) 2007-02-28 EP disclosed
EP-1732931-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL Tibotec Pharmaceuticals Ltd. (IE) 2006-12-20 EP disclosed
WO-2005095410-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-10-13 WO disclosed
US-20040198799-A1 Methods of increasing endogenous testosterone levels LABORATOIRES SERONO SA (CH) 2004-10-07 US disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
US-6346536-B1 BENZOPYRANOISOQUINOLONE DERIVATIVES; NEURODEGENERATIVE AND BRAIN DISORDERS; REPERFUSION INJURIES; ANTIISCHEMIC AGENTS GUILFORD PHARMACEUTICALS INC. 2002-02-12 US disclosed
US-6306889-B1 FUSED HETEROCYCLIC DRUGS FOR CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-10-23 US disclosed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 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 (3 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 GAA 4551/4885SMN1; SMN2 4200/4885HSD17B10 2732/4885
US-20040198799-A1 Methods of increasing endogenous testosterone levels SHBG, CYP17A1, NR5A1 GAA 975/4885SMN1; SMN2 2371/4885HSD17B10 74/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 GAA 4272/4885SMN1; SMN2 4074/4885HSD17B10 3760/4885

“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.