SCHEMBL4126708

SCHEMBL4126708

CC(C)(O)CNC(=O)C([NH])C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.35
PIK3CD O00329 1/20 0.34
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4126930 0.78 TSHR (0.33) PTGS1KCNH2
SCHEMBL10311712 0.76 PIK3CD (0.42) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL4128472 0.75 USP2 (0.50) CNR1PTGS1KCNH2
SCHEMBL4126714 0.75 DPP4 (0.43) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL1582483 0.74 MEN1 (0.45) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL21844018 0.73 FPR2 (0.34) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL4116094 0.73 PTGS1 (0.30) PTGS1KCNH2
SCHEMBL4125963 0.73 PTGS1 (0.37) PTGS1KCNH2
SCHEMBL19882810 0.72 PIK3CD (0.39) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL29645831 0.72 PIK3CD (0.39) FPR2PIK3CDCNR1CNR2TRPA1

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 FPR2 229/4885PIK3CD 1651/4885CNR1 1/4885

“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.