SCHEMBL5443106

SCHEMBL5443106

CNCCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.74
▸ CAPN2 P17655 1/20 0.74
▸ CTSK P43235 15/20 0.72
▸ CTSS P25774 6/20 0.70
▸ CTSL P07711 2/20 0.70
▸ CTSB P07858 1/20 0.70
▸ CA5A P35218 1/20 0.64
▸ CA1 P00915 1/20 0.62

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
SCHEMBL9115066 0.95 CAPN1 (0.80) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL13870521 0.88 CAPN1 (0.76) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL20542843 0.88 CAPN1 (0.76) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL20542841 0.88 CAPN1 (0.76) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL29052549 0.87 CTSK (0.77) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL29052552 0.87 CTSK (0.77) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL14067668 0.87 CTSK (0.77) CAPN1CAPN2CTSKCTSSCTSL
Hydrochloric Acid SCHEMBL10586713 0.85 CTSK (0.68) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL7137850 0.85 CAPN1 (0.68) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL2670566 0.85 CAPN1 (0.68) CAPN1CAPN2CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 — — US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 — — US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 — — 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 CAPN1 2884/4885CAPN2 3914/4885CTSK 3434/4885

“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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