SCHEMBL1124728

SCHEMBL1124728

Oc1c(Oc2ccccc2)cnc2c(C(F)(F)F)cccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 0.50
NR1H2 P55055 19/20 0.50
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL1124361 0.84 NR1H3 (0.47) NR1H3NR1H2
SCHEMBL1124860 0.83 NR1H3 (0.57) NR1H3NR1H2
SCHEMBL1124704 0.81 NR1H3 (0.61) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL1124193 0.76 NR1H2 (0.54) NR1H3NR1H2
SCHEMBL1125252 0.74 NR1H2 (0.46) NR1H3NR1H2
SCHEMBL1124802 0.74 PARP1 (0.45) NR1H3NR1H2
SCHEMBL1125190 0.73 NR1H2 (0.57) NR1H3NR1H2
SCHEMBL994825 0.73 NR1H2 (0.45) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL995354 0.73 NR1H2 (0.58) NR1H3NR1H2PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL11618873 0.72 NR1H2 (0.56) NR1H3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 NR1H3 2/4885NR1H2 1/4885PPARG 38/4885

“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.