SCHEMBL21854038

SCHEMBL21854038

Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.56
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ CTSS P25774 1/20 0.47

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
SCHEMBL20028379 1.00 CAPN1 (0.56) CAPN1CNR1CNR2CTSS
SCHEMBL23268990 0.82 CAPN1 (0.59) CAPN1CTSS
SCHEMBL20028632 0.82 CAPN1 (0.59) CAPN1CTSS
SCHEMBL20027714 0.81 CAPN1 (0.53) CAPN1CNR1CNR2CTSS
SCHEMBL30133591 0.81 CAPN1 (0.53) CAPN1CNR1CNR2CTSS
SCHEMBL20028421 0.80 CAPN1 (0.52) CAPN1
SCHEMBL30133622 0.79 KMT2A (0.60) CAPN1
SCHEMBL20027655 0.79 KMT2A (0.60) CAPN1
SCHEMBL20028431 0.79 CAPN1 (0.53) CAPN1CTSS
SCHEMBL22897225 0.79 CAPN1 (0.52) CAPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 — — 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 (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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CNR1 3073/4885CNR2 3409/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CNR1 3073/4885CNR2 3409/4885

“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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