SCHEMBL5350202

SCHEMBL5350202

N#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.53
▸ CTSB P07858 9/20 0.52
▸ CTSL P07711 5/20 0.52
▸ CTSS P25774 6/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL5344211 0.91 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL6385886 0.87 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6385881 0.87 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6386047 0.87 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL5350501 0.86 CTSK (0.57) CTSKCTSBCTSLCTSS
SCHEMBL5350496 0.86 CTSK (0.57) CTSKCTSBCTSLCTSSNPC1
SCHEMBL5365055 0.85 DPP4 (0.50) CTSKCTSBCTSLCTSS
SCHEMBL5345668 0.85 CTSK (0.43) CTSKCTSBCTSLCTSS
SCHEMBL6380871 0.85 CTSK (0.47) CTSKCTSBCTSLCTSSRAB9A
SCHEMBL6380877 0.85 CTSK (0.47) CTSKCTSBCTSLCTSSRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 — — US claimed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 — — US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 — — US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 — — US disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 — — 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-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 CTSK 1/4885CTSB 5/4885CTSL 17/4885

“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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