SCHEMBL19385603

SCHEMBL19385603

CNC(=O)OC(CN)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.41
▸ CTSL P07711 5/20 0.39
▸ CTSB P07858 5/20 0.39
▸ CTSH P09668 3/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CPB2 Q96IY4 2/20 0.33

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
SCHEMBL19385540 0.98 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL19385501 0.85 CTSK (0.42) CTSKCTSLCTSBCTSHCTSS
SCHEMBL27834087 0.83 CPB2 (0.45) CTSKCTSLCTSBCTSHCTSS
SCHEMBL29068024 0.77 CTSK (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL29067937 0.72 ANPEP (0.33) CTSKCTSS
SCHEMBL29067935 0.72 ANPEP (0.33) CTSKCTSS
SCHEMBL19385614 0.71 KMT2A (0.46) —
SCHEMBL19385485 0.70 KMT2A (0.45) CTSKCTSLCTSBCTSS
SCHEMBL19385476 0.69 — —
SCHEMBL19385496 0.69 — —

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
EP-3484464-B1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-10-28 — — EP disclosed
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-10-15 — — US disclosed
EP-3484464-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-05-22 — — EP disclosed
US-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-03-28 — — US disclosed
WO-2017165204-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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 (2 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-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, TRPA1 CTSK 1564/4885CTSL 3183/4885CTSB 2359/4885
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, TRPA1 CTSK 1564/4885CTSL 3183/4885CTSB 2359/4885

“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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