SCHEMBL2715228

SCHEMBL2715228

CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(N3CCOCC3)cc2)c1)C1(C(N)=O)OCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.56
CTSS P25774 1/20 0.36
SYK P43405 4/20 0.34
P2RY12 Q9H244 1/20 0.34
IKBKB O14920 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
DNMT1 P26358 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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 0.90 CAPN1 (0.69) CAPN1CTSS
SCHEMBL2714449 0.90 CAPN1 (0.59) CAPN1ALDH1A1
SCHEMBL2715518 0.90 CAPN1 (0.59) CAPN1
SCHEMBL2714668 0.88 CAPN1 (0.58) CAPN1ALDH1A1L3MBTL1
SCHEMBL2714806 0.88 CAPN1 (0.57) CAPN1CTSS
SCHEMBL2715725 0.88 CAPN1 (0.57) CAPN1CTSS
SCHEMBL2714748 0.87 CAPN1 (0.56) CAPN1
SCHEMBL2716990 0.85 CAPN1 (0.58) CAPN1
SCHEMBL16551264 0.85 CAPN1 (0.78) CAPN1CTSSP2RY12
Hydrochloric Acid SCHEMBL541135 0.85 CAPN1 (0.77) CAPN1CTSSP2RY12

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 2/4885CTSS 163/4885SYK 4103/4885

“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.