SCHEMBL4475409

SCHEMBL4475409

C=CCC1(NC(=O)OCc2ccccc2)CCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.42
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CCR1 P32246 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5721029 0.87 BACE1 (0.42) MEN1KMT2A
SCHEMBL29002107 0.86 CTSL (0.42) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL745009 0.85 DPP4 (0.46) TGM2DPP4KCNH2DPP7CTSL
SCHEMBL18129126 0.85 L3MBTL1 (0.45) TGM2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29197223 0.84 TGM2 (0.42) TGM2DPP4KCNH2DPP7CTSL
SCHEMBL26926130 0.83 CTSB (0.43) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL16825914 0.82 OPRD1 (0.45) MEN1KMT2A
SCHEMBL19641407 0.81 CTSL (0.44) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL1949230 0.81 BACE1 (0.41) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL29002099 0.81 DPP4 (0.42) TGM2DPP4KCNH2DPP7CTSL

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-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 TGM2 2864/4885DPP4 2601/4885KCNH2 749/4885

“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.