SCHEMBL963896

SCHEMBL963896

Cc1nn(C)c(-n2ccc3ccc(C(F)(F)F)cc32)c1C=CC(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
CRHR1 P34998 9/20 0.33
GRM5 P41594 1/20 0.33
NPY5R Q15761 3/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
ENPP2 Q13822 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 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
SCHEMBL963894 1.00 PPARG (0.34) PPARGCRHR1GRM5NPY5RDRD2
SCHEMBL964118 0.88 NPY5R (0.41) NPY5R
SCHEMBL964119 0.88 NPY5R (0.41) NPY5R
SCHEMBL963860 0.88 PPARG (0.34) PPARGCDC7CDK2
SCHEMBL963859 0.88 PPARG (0.34) PPARGCDC7CDK2
SCHEMBL27772703 0.88 PPARG (0.35) PPARGCRHR1GRM5DRD2DRD3
SCHEMBL965035 0.87 PPARG (0.36) PPARGCDC7CDK2
SCHEMBL965033 0.87 PPARG (0.36) PPARGCDC7CDK2
SCHEMBL966163 0.87 MTNR1A (0.39) NPY5RDRD2DRD3
SCHEMBL966164 0.87 MTNR1A (0.39) NPY5RDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 PPARG 248/4885CRHR1 1133/4885GRM5 982/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885CRHR1 780/4885GRM5 243/4885

“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.