SCHEMBL3154107

SCHEMBL3154107

COC(=O)CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MASP2 O00187 2/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTSD P07339 1/20 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
SCHEMBL3150073 0.91 MASP2 (0.40) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1432630 0.91 DPP4 (0.39) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1431769 0.91 DPP4 (0.39) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1432209 0.90 F2 (0.42) ALDH1A1DPP4KCNH2XIAPMEN1
SCHEMBL1432780 0.90 F2 (0.42) ALDH1A1DPP4KCNH2XIAPMEN1
SCHEMBL1432074 0.89 DPP4 (0.38) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1432174 0.89 DPP4 (0.38) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1432028 0.88 HDAC1 (0.40) ALDH1A1DPP4KCNH2XIAPMEN1
SCHEMBL1431638 0.87 DPP4 (0.40) PPIBALDH1A1DPP4KCNH2XIAP
SCHEMBL1432180 0.87 DPP4 (0.40) PPIBALDH1A1DPP4KCNH2XIAP

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 PPIB 1335/4885ALDH1A1 147/4885DPP4 1063/4885

“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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