SCHEMBL20027872

SCHEMBL20027872

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 16/20 0.62
CTSB P07858 2/20 0.52
CTSS P25774 1/20 0.49
ACE P12821 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BACE1 P56817 2/20 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
SCHEMBL20028258 1.00 CAPN1 (0.62) CAPN1CTSBCTSSACEOPRM1
SCHEMBL20027711 0.80 CAPN1 (0.60) CAPN1CTSBCTSS
SCHEMBL30133614 0.80 CAPN1 (0.60) CAPN1CTSBCTSS
SCHEMBL20027776 0.79 CAPN1 (0.55) CAPN1CTSBCTSSOPRM1OPRK1
SCHEMBL288286 0.79 CAPN1 (0.64) CAPN1CTSBCTSS
SCHEMBL1612208 0.79 CAPN1 (0.64) CAPN1CTSBCTSS
SCHEMBL288734 0.79 CAPN1 (0.64) CAPN1CTSBCTSS
SCHEMBL289625 0.77 CAPN1 (1.00) CAPN1
SCHEMBL288543 0.77 CAPN1 (1.00) CAPN1
SCHEMBL289000 0.77 CAPN1 (1.00) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSB 105/4885CTSS 210/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 CAPN1 4/4885CTSB 193/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSB 105/4885CTSS 210/4885

“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.