SCHEMBL5576769

SCHEMBL5576769

CCCc1c(OCCCN2C(=O)CCC2=O)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.56
NR1H3 Q13133 10/20 0.56
GRM2 Q14416 1/20 0.56
PPARA Q07869 12/20 0.43
PPARD Q03181 11/20 0.43
PPARG P37231 9/20 0.43

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
SCHEMBL6098942 0.89 GRM2 (0.55) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6097922 0.88 NR1H2 (0.74) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6098935 0.86 GRM2 (0.52) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6098717 0.84 NR1H2 (0.52) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6100866 0.83 NR1H2 (0.78) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6404754 0.83 NR1H2 (0.48) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6100087 0.81 GRM2 (0.63) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6100301 0.81 NR1H2 (0.61) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6422304 0.81 GRM2 (0.58) NR1H2NR1H3GRM2PPARAPPARD
SCHEMBL6368217 0.80 GRM2 (0.59) NR1H2NR1H3GRM2PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125865-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2006-10-24 US claimed
US-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK SHARP & DOHME CORP. 2005-10-27 US claimed
EP-1758651-A2 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS Galapagos N.V. (BE) 2007-03-07 EP disclosed
US-7125865-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2006-10-24 US disclosed
WO-2006000577-A9 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS GALAPAGOS GENOMICS NV (BE) 2006-04-20 WO disclosed
US-20060020036-A1 Methods and compositions to promote bone homestasis GALAPAGOS N.V. (BE) 2006-01-26 US disclosed
WO-2006000577-A2 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS GALAPAGOS N.V. (BE) 2006-01-05 WO disclosed
US-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK SHARP & DOHME CORP. 2005-10-27 US 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-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, LDLR NR1H2 1/4885NR1H3 2/4885GRM2 541/4885

“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.