SCHEMBL22897279

SCHEMBL22897279

Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ PYGL P06737 1/20 0.40
▸ CAPN1 P07384 5/20 0.39

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
SCHEMBL20028504 1.00 CCR1 (0.41) CCR1CNR1CNR2PYGLCAPN1
SCHEMBL24444088 0.90 CCR1 (0.40) CCR1CNR1CNR2PYGL
SCHEMBL24444089 0.90 CCR1 (0.40) CCR1CNR1CNR2PYGL
SCHEMBL20028172 0.85 PYGL (0.41) CCR1CNR1CNR2PYGLCAPN1
SCHEMBL20027982 0.84 CAPN1 (0.57) CAPN1
SCHEMBL21854036 0.84 CAPN1 (0.57) CAPN1
SCHEMBL20027494 0.83 HDAC8 (0.43) CCR1CNR1CNR2PYGL
SCHEMBL20027892 0.81 PYGL (0.44) CCR1CNR1CNR2PYGL
SCHEMBL20028168 0.81 PYGL (0.44) CCR1CNR1CNR2PYGL
SCHEMBL22896469 0.79 CAPN1 (0.51) 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 3 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

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 CCR1 4696/4885CNR1 3073/4885CNR2 3409/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CCR1 4788/4885CNR1 2961/4885CNR2 2995/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CCR1 4696/4885CNR1 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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