SCHEMBL2715518

SCHEMBL2715518

CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(Cl)cc2)c1)C1(C(N)=O)OCCO1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 14/20 0.59
▸ MAP4K4 O95819 1/20 0.36
▸ SLC6A9 P48067 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CXCR2 P25025 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL2716408 0.93 CAPN1 (0.69) CAPN1CNR1CNR2
SCHEMBL2716990 0.93 CAPN1 (0.58) CAPN1SLC6A9CNR2
SCHEMBL2714449 0.92 CAPN1 (0.59) CAPN1CXCR2CNR1CNR2
SCHEMBL2714668 0.91 CAPN1 (0.58) CAPN1CXCR2
SCHEMBL2714806 0.90 CAPN1 (0.57) CAPN1SLC6A9CXCR2
SCHEMBL2715228 0.90 CAPN1 (0.56) CAPN1
SCHEMBL2715422 0.89 CAPN1 (0.54) CAPN1SLC6A9CNR1CNR2
SCHEMBL2714909 0.87 CAPN1 (0.60) CAPN1
SCHEMBL2716294 0.86 CAPN1 (0.53) CAPN1MAP4K4SLC6A9CNR1CNR2
SCHEMBL540969 0.82 CAPN1 (0.87) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238130-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-05-02 — — EP claimed
US-9150553-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-06 — — US disclosed
EP-2238130-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-05-02 — — EP disclosed
US-20110059968-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-03-10 — — US disclosed
EP-2238130-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2010-10-13 — — EP disclosed
WO-2009083581-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2009-07-09 — — 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 (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-20110059968-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN2, CAPN1, CAPNS1 CAPN1 2/4885MAP4K4 3442/4885SLC6A9 4492/4885

“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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