SCHEMBL612701

SCHEMBL612701

CC(C)OC(=O)N1CCC(O[C@H](C)c2nc(-c3ccc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)ccc5F)C4)nc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.51
NTRK1 P04629 6/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
RET P07949 7/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SYK P43405 2/20 0.35
HDAC4 P56524 1/20 0.34

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
SCHEMBL612289 0.87 GPR119 (0.43) GPR119NTRK1HDAC6RETHDAC4
SCHEMBL10058408 0.87 GPR119 (0.48) GPR119
SCHEMBL612683 0.84 GPR119 (0.36) GPR119NTRK1
SCHEMBL612552 0.82 GPR119 (0.37) GPR119NTRK1
SCHEMBL10058394 0.82 GPR119 (0.40) GPR119NTRK1HDAC6RETSYK
SCHEMBL610104 0.81 GPR119 (0.46) GPR119
SCHEMBL609801 0.81 GPR119 (0.36) GPR119NTRK1
SCHEMBL609800 0.81 GPR119 (0.36) GPR119NTRK1
SCHEMBL10058406 0.80 GPR119 (0.47) GPR119HDAC6HDAC8HDAC1
SCHEMBL10058415 0.79 GPR119 (0.47) GPR119

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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 GPR119 1/4885NTRK1 3765/4885HDAC6 2312/4885

“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.