SCHEMBL2797648

SCHEMBL2797648

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 13/20 0.46
PYGL P06737 1/20 0.43
CTSS P25774 1/20 0.39
CTSB P07858 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
CCR1 P32246 1/20 0.38
RAB9A P51151 1/20 0.38
NQO2 P16083 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2799485 0.86 CAPN1 (0.62) CAPN1CTSS
SCHEMBL2800282 0.81 PYGL (0.47) CAPN1PYGLCCR1
SCHEMBL2801618 0.77 CAPN1 (0.75) CAPN1PYGLCTSSCTSBCCR1
SCHEMBL2799940 0.74 KDM4E (0.56) NQO2
SCHEMBL541246 0.74 CAPN1 (0.75) CAPN1CTSS
SCHEMBL2803091 0.74 ALDH1A1 (0.58) CAPN1PYGLCCR1
SCHEMBL2800741 0.74 CAPN1 (0.47) CAPN1PYGLCCR1
SCHEMBL7322290 0.73 CHRNB2 (0.52) CAPN1PYGLCTSB
SCHEMBL2802814 0.72 CAPN1 (0.67) CAPN1PYGL
SCHEMBL3711942 0.72 CAPN1 (0.87) CAPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 US disclosed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 US disclosed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 US disclosed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 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 (2 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-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK4, CAMK2A, CAMK2B CAPN1 4/4885PYGL 417/4885CTSS 40/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CAPN1 4/4885PYGL 436/4885CTSS 41/4885

“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.