SCHEMBL9901222

SCHEMBL9901222

O=C(NC(Cc1ccccc1)C(O)C(=O)NC1CC1)c1cccnc1-n1cc2c(n1)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 17/20 0.64
HDAC8 Q9BY41 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9902430 0.89 CAPN1 (0.71) CAPN1HDAC8
SCHEMBL15401515 0.88 CAPN1 (0.68) CAPN1HDAC8
SCHEMBL15400018 0.85 CAPN1 (0.78) CAPN1
SCHEMBL9900875 0.85 CAPN1 (0.61) CAPN1
SCHEMBL1986120 0.82 CAPN1 (0.53) CAPN1
SCHEMBL1990682 0.81 CAPN1 (0.73) CAPN1
SCHEMBL1988765 0.81 CAPN1 (0.63) CAPN1
SCHEMBL1988616 0.80 CAPN1 (0.74) CAPN1
SCHEMBL15400019 0.78 CAPN1 (0.59) CAPN1SMN1; SMN2
SCHEMBL1990242 0.78 CAPN1 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885HDAC8 784/4885SMN1; SMN2 1198/4885

“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.