SCHEMBL288266

SCHEMBL288266

O=C(O)[C@H]1CCC(=O)N1Cc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.48
GYS1 P13807 1/20 0.46
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HCRTR2 O43614 2/20 0.40
HCRTR1 O43613 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL288267 1.00 P2RX7 (0.48) P2RX7GYS1GAAPOLBKMT2A
SCHEMBL28020907 0.90 P2RX7 (0.45) P2RX7GYS1GAAPOLBKMT2A
SCHEMBL1611845 0.86 P2RX7 (0.55) P2RX7GYS1KMT2ATSHRCYP2D6
SCHEMBL288978 0.86 P2RX7 (0.55) P2RX7GYS1KMT2ATSHRCYP2D6
SCHEMBL1613647 0.85 GAA (0.58) P2RX7GAAPOLBKMT2ATSHR
SCHEMBL289716 0.85 GAA (0.58) P2RX7GAAPOLBKMT2ATSHR
SCHEMBL18204743 0.85 GAA (0.58) P2RX7GAAPOLBKMT2ATSHR
SCHEMBL289574 0.80 P2RX7 (0.56) P2RX7GYS1GAAKMT2ATSHR
SCHEMBL288651 0.80 P2RX7 (0.56) P2RX7GYS1GAAKMT2ATSHR
SCHEMBL288652 0.80 P2RX7 (0.56) P2RX7GYS1GAAKMT2ATSHR

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 P2RX7 1852/4885GYS1 1486/4885GAA 565/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885GAA 565/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885GAA 565/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885GAA 565/4885

“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.