SCHEMBL25547332

SCHEMBL25547332

CCCCC1CC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.60
NAMPT P43490 18/20 0.47
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14316368 0.89 GPR119 (0.60) GPR119NAMPTCYP2C9
SCHEMBL15203186 0.86 GPR119 (0.57) GPR119NAMPTCYP2C9
SCHEMBL14316367 0.86 GPR119 (0.57) GPR119NAMPTCYP2C9
SCHEMBL20077751 0.86 GPR119 (0.57) GPR119NAMPTCYP2C9
SCHEMBL30451669 0.86 GPR119 (0.57) GPR119NAMPTCYP2C9
SCHEMBL8044737 0.83 GPR119 (0.54) GPR119NAMPTCYP2C9
SCHEMBL21644282 0.83 GPR119 (0.54) GPR119NAMPTCYP2C9
SCHEMBL21644082 0.83 GPR119 (0.54) GPR119NAMPTCYP2C9
SCHEMBL20077298 0.83 GPR119 (0.54) GPR119NAMPTCYP2C9
SCHEMBL20068583 0.82 GPR119 (0.52) GPR119NAMPTCYP2C9

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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 GPR119 15/4885NAMPT 4040/4885CYP2C9 127/4885

“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.