SCHEMBL967047

SCHEMBL967047

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1CCS(=O)(=O)N(CC1CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.35
CRHR1 P34998 2/20 0.33
CHRNA7 P36544 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.30
NR3C1 P04150 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
SCHEMBL964427 0.93 TRPM8 (0.32) TRPM8CRHR1CHRNA7NR3C1
SCHEMBL966059 0.88 IRAK4 (0.35) CRHR1
SCHEMBL963320 0.88 TRPM8 (0.33) TRPM8CRHR1POLB
SCHEMBL964579 0.88 TRPM8 (0.33) TRPM8POLB
SCHEMBL961670 0.87 POLB (0.34) TRPM8CRHR1POLB
SCHEMBL966246 0.86 POLB (0.33) TRPM8POLB
SCHEMBL5119940 0.81 NR3C1 (0.34) TRPM8CHRNA7POLBNR3C1
SCHEMBL965516 0.81 CHRNA7 (0.33) CRHR1CHRNA7POLBNR3C1
SCHEMBL962680 0.80 ALDH1A1 (0.33) POLBNR3C1
SCHEMBL964464 0.79 NPY5R (0.35) CRHR1PTGDR2

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 1 patent. 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

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TRPM8 1651/4885CRHR1 780/4885CHRNA7 790/4885

“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.