SCHEMBL9900944

SCHEMBL9900944

CONC(=O)C(=O)CC(NC(=O)c1cccnc1-n1cc2ccc(C(F)(F)F)cc2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 16/20 0.46
KCNA5 P22460 1/20 0.37
TACR3 P29371 1/20 0.36
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
KCNK3 O14649 1/20 0.35

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
SCHEMBL9901040 0.90 CAPN1 (0.48) CAPN1TACR3
SCHEMBL9901659 0.88 CAPN1 (0.59) CAPN1KCNA5TACR3
SCHEMBL9901543 0.88 CAPN1 (0.46) CAPN1KCNA5IL1BP2RX7
SCHEMBL9901064 0.85 CAPN1 (0.48) CAPN1TACR3
SCHEMBL9900940 0.85 CAPN1 (0.63) CAPN1
SCHEMBL1990406 0.82 CAPN1 (0.65) CAPN1
SCHEMBL9901539 0.81 CAPN1 (0.52) CAPN1
SCHEMBL9900663 0.80 CAPN1 (0.57) CAPN1KCNA5
SCHEMBL9901105 0.79 CAPN1 (0.47) CAPN1TACR3
SCHEMBL9900890 0.78 CAPN1 (0.58) CAPN1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062027-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-23 US claimed
US-20140005227-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-02 US claimed
EP-2648731-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBVIE DEUTSCHLAND (DE) 2017-01-25 EP disclosed
US-9062027-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-23 US disclosed
US-20140005227-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-02 US disclosed
EP-2648731-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V Abbvie Deutschland GmbH & Co. KG (DE) 2013-10-16 EP disclosed
WO-2012076639-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBOTT GMBH & CO. KG (DE) 2012-06-14 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-20140005227-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPN9 CAPN1 2/4885KCNA5 1097/4885TACR3 2063/4885

“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.