SCHEMBL19385501

SCHEMBL19385501

CNC(=O)OC(CO)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.42
▸ CTSL P07711 7/20 0.40
▸ CTSB P07858 7/20 0.40
▸ CTSH P09668 5/20 0.40
▸ CTSS P25774 2/20 0.39
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ EPHX1 P07099 1/20 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
SCHEMBL19385603 0.85 CTSK (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL19385540 0.84 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL12199642 0.78 MAPK1 (0.41) CTSKEPHX1
SCHEMBL29068145 0.77 CTSK (0.42) CTSKCTSLCTSBCTSHCTSS
SCHEMBL29065552 0.74 ALOX5 (0.36) CTSKCTSLCTSBEPHX1
SCHEMBL19385614 0.72 KMT2A (0.46) —
SCHEMBL19435389 0.72 CTSK (0.39) CTSKCTSLCTSBEPHX1
SCHEMBL19385485 0.72 KMT2A (0.45) CTSKCTSLCTSBCTSS
SCHEMBL21098352 0.71 PRKCA (0.40) EPHX1
SCHEMBL29068108 0.69 ANPEP (0.33) CTSKCTSS

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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