SCHEMBL3258183

SCHEMBL3258183

CC(C)CN1CCC[C@@H]1C(=O)O.Nc1ccc(CNC(=O)[C@@H](N)Cc2ccc(F)c(F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ F2 P00734 7/20 0.40
▸ MASP2 O00187 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ MET P08581 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PPIB P23284 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36

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
SCHEMBL1432209 0.87 F2 (0.42) DPP4KCNH2F2MASP2ALDH1A1
SCHEMBL1432780 0.87 F2 (0.42) DPP4KCNH2F2MASP2ALDH1A1
SCHEMBL1901467 0.82 PDPK1 (0.47) MASP2METPDPK1AKT1AKT2
SCHEMBL1901471 0.82 PDPK1 (0.47) MASP2METPDPK1AKT1AKT2
Hydrochloric Acid SCHEMBL1432702 0.81 PDPK1 (0.46) MASP2METPDPK1AKT1AKT2
Hydrochloric Acid SCHEMBL1432707 0.81 PDPK1 (0.46) MASP2METPDPK1AKT1AKT2
SCHEMBL1432630 0.80 DPP4 (0.39) DPP4KCNH2F2MASP2ALDH1A1
SCHEMBL1431769 0.80 DPP4 (0.39) DPP4KCNH2F2MASP2ALDH1A1
SCHEMBL3150073 0.79 MASP2 (0.40) DPP4KCNH2F2MASP2ALDH1A1
Trifluoroacetic Acid SCHEMBL3148336 0.79 PDPK1 (0.47) DPP4KCNH2MASP2OPRK1PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO 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 DPP4 1063/4885KCNH2 301/4885F2 1046/4885

“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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