SCHEMBL289504

SCHEMBL289504

O=C(O)C1CCC(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.59
HCRTR2 O43614 3/20 0.59
P2RX7 Q99572 3/20 0.57
GRM2 Q14416 1/20 0.51
GRM3 Q14832 1/20 0.51
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL298888 1.00 HCRTR1 (0.59) HCRTR1HCRTR2P2RX7GRM2GRM3
SCHEMBL289222 0.86 HCRTR1 (0.45) HCRTR1HCRTR2P2RX7GRM2GRM3
SCHEMBL7217950 0.82 HTT (0.48) P2RX7MAPTHTTMEN1GAA
SCHEMBL16600845 0.81 HCRTR1 (0.48) HCRTR1HCRTR2P2RX7GRM2GRM3
SCHEMBL16600848 0.81 HCRTR1 (0.48) HCRTR1HCRTR2P2RX7GRM2GRM3
SCHEMBL16601374 0.81 P2RX7 (0.59) P2RX7MAPTHTTMEN1GAA
SCHEMBL1613003 0.81 CYP2D6 (0.48) P2RX7MAPTHTTMEN1GAA
SCHEMBL1613178 0.81 HTT (0.65) P2RX7MAPTHTTMEN1GAA
SCHEMBL1613006 0.81 CYP2D6 (0.48) P2RX7MAPTHTTMEN1GAA
SCHEMBL16601376 0.81 P2RX7 (0.59) P2RX7MAPTHTTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427429-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2017-02-15 EP disclosed
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 US disclosed
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 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 (4 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 HCRTR1 169/4885HCRTR2 242/4885P2RX7 1852/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 HCRTR1 169/4885HCRTR2 242/4885P2RX7 1852/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 HCRTR1 169/4885HCRTR2 242/4885P2RX7 1852/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 HCRTR1 169/4885HCRTR2 242/4885P2RX7 1852/4885

“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.