SCHEMBL21183751

SCHEMBL21183751

CCOC(=O)N1CCc2nn(-c3ccc(F)c(C)c3)c(NC(=O)NCC(OC)OC)c2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ C5AR1 P21730 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MGAT2 Q10469 1/20 0.33

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
SCHEMBL21175154 0.92 NTRK1 (0.41) NTRK1ENPP2DPP4DPP8DPP9
SCHEMBL20015365 0.92 NTRK1 (0.43) NTRK1ENPP2DPP4DPP8DPP9
SCHEMBL30178379 0.92 NTRK1 (0.43) NTRK1ENPP2DPP4DPP8DPP9
SCHEMBL22909687 0.87 LMNA (0.38) NTRK1LMNAPABPC1ATMSMN1; SMN2
SCHEMBL21175362 0.83 NTRK1 (0.38) NTRK1DPP4DPP8DPP9DPP7
SCHEMBL20015139 0.82 C5AR1 (0.42) NTRK1C5AR1
SCHEMBL21175270 0.79 ALDH1A1 (0.36) NTRK1
SCHEMBL20014985 0.79 C5AR1 (0.42) NTRK1C5AR1
SCHEMBL27254722 0.79 NTRK1 (0.36) NTRK1HPGD
SCHEMBL21175241 0.78 ALDH1A1 (0.37) NTRK1DPP4DPP8DPP9DPP7

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-20190225604-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-07-25 — — 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-20190225604-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT GLP1R, GPR119, GIPR NTRK1 1296/4885ENPP2 2375/4885DPP4 16/4885

“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.

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