SCHEMBL4740448

SCHEMBL4740448

Cc1cccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 14/20 0.49
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
GAA P10253 1/20 0.38
CTSC P53634 1/20 0.37
TOP1 P11387 1/20 0.37

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
SCHEMBL4739220 0.84 GPBAR1 (0.62) GPBAR1CTSCTOP1
SCHEMBL4788221 0.81 GPBAR1 (0.68) GPBAR1CTSCTOP1
SCHEMBL4457193 0.80 GPBAR1 (0.50) GPBAR1CTSCTOP1
SCHEMBL4785582 0.79 GPBAR1 (0.64) GPBAR1DRD4DRD3L3MBTL1PIK3CD
SCHEMBL4739909 0.78 GPBAR1 (0.61) GPBAR1CTSCTOP1
SCHEMBL4741956 0.77 GPBAR1 (0.67) GPBAR1CTSCTOP1
SCHEMBL4742338 0.77 GPBAR1 (0.64) GPBAR1CTSCTOP1
SCHEMBL4743270 0.77 GPBAR1 (0.64) GPBAR1CTSCTOP1
SCHEMBL4872923 0.77 GPBAR1 (0.71) GPBAR1
SCHEMBL4785753 0.77 GPBAR1 (0.60) GPBAR1CTSCTOP1

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
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 WO disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 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-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPR119, GPBAR1, LDLR GPBAR1 2/4885DRD4 4409/4885DRD3 4021/4885

“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.