SCHEMBL3154659

SCHEMBL3154659

CC(C)N(C)C(C)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.44
CTSL P07711 11/20 0.43
CTSV O60911 10/20 0.43
CTSS P25774 10/20 0.43
CTSK P43235 7/20 0.43
HTRA1 Q92743 1/20 0.42
KLKB1 P03952 4/20 0.41
KLK1 P06870 2/20 0.41
MASP2 O00187 1/20 0.41

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
SCHEMBL1432183 1.00 CTSB (0.44) CTSBCTSLCTSVCTSSCTSK
SCHEMBL3153950 0.90 CTSB (0.44) CTSBCTSLCTSVCTSSCTSK
SCHEMBL3153914 0.90 CTSB (0.44) CTSBCTSLCTSVCTSSCTSK
SCHEMBL1431746 0.90 CTSB (0.43) CTSBCTSLCTSSCTSKKLKB1
SCHEMBL3147030 0.90 CTSB (0.43) CTSBCTSLCTSSCTSKKLKB1
SCHEMBL1432456 0.89 CTSB (0.44) CTSBCTSLCTSVCTSSCTSK
SCHEMBL3144614 0.89 CTSB (0.44) CTSBCTSLCTSVCTSSCTSK
SCHEMBL3148655 0.89 KLKB1 (0.41) HTRA1KLKB1KLK1MASP2
SCHEMBL3148667 0.89 KLKB1 (0.41) HTRA1KLKB1KLK1MASP2
SCHEMBL3149326 0.89 KLKB1 (0.41) HTRA1KLKB1KLK1MASP2

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 claimed
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 CTSB 2784/4885CTSL 2316/4885CTSV 4079/4885

“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.