SCHEMBL148182

SCHEMBL148182

C[C@H](CCOc1cnc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2ncc(Cl)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.38
GPR119 Q8TDV5 9/20 0.38
KCNH2 Q12809 5/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
RET P07949 5/20 0.35

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
SCHEMBL148181 1.00 NTRK1 (0.38) NTRK1GPR119KCNH2EIF2AK4RET
SCHEMBL145121 0.90 GPR119 (0.43) NTRK1GPR119
SCHEMBL470485 0.88 GPR119 (0.43) NTRK1GPR119KCNH2EIF2AK4RET
SCHEMBL149964 0.88 GPR119 (0.38) NTRK1GPR119KCNH2RET
SCHEMBL149963 0.88 GPR119 (0.38) NTRK1GPR119KCNH2RET
SCHEMBL149962 0.88 GPR119 (0.38) NTRK1GPR119KCNH2RET
SCHEMBL122214 0.87 GPR119 (0.42) NTRK1GPR119
SCHEMBL148018 0.85 GPR119 (0.41) NTRK1GPR119
SCHEMBL148020 0.85 GPR119 (0.41) NTRK1GPR119
SCHEMBL148019 0.85 GPR119 (0.41) NTRK1GPR119

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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 NTRK1 4160/4885GPR119 1/4885KCNH2 2010/4885

“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.