SCHEMBL5345668

SCHEMBL5345668

N#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.43
▸ CTSB P07858 4/20 0.42
▸ CTSL P07711 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CTSS P25774 3/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5350202 0.85 CTSK (0.53) CTSKCTSBCTSLCTSS
SCHEMBL5344211 0.83 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL6386047 0.82 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6385886 0.82 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6385881 0.82 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL5350496 0.81 CTSK (0.57) CTSKCTSBCTSLCTSS
SCHEMBL5350501 0.81 CTSK (0.57) CTSKCTSBCTSLCTSS
SCHEMBL5365055 0.80 DPP4 (0.50) CTSKCTSBCTSLCTSS
SCHEMBL6380877 0.80 CTSK (0.47) CTSKCTSBCTSLALDH1A1CTSS
SCHEMBL6380871 0.80 CTSK (0.47) CTSKCTSBCTSLALDH1A1CTSS

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-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 — — US claimed
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

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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