SCHEMBL288978

SCHEMBL288978

O=C(O)C1CCC(=O)N1Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.55
GYS1 P13807 1/20 0.55
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1611845 1.00 P2RX7 (0.55) P2RX7GYS1KMT2ANPC1RAB9A
SCHEMBL288266 0.86 P2RX7 (0.48) P2RX7GYS1KMT2ASIGMAR1HCRTR1
SCHEMBL288267 0.86 P2RX7 (0.48) P2RX7GYS1KMT2ASIGMAR1HCRTR1
SCHEMBL10378890 0.86 P2RX7 (0.53) P2RX7GYS1KMT2ANPC1RAB9A
SCHEMBL289574 0.84 P2RX7 (0.56) P2RX7GYS1KMT2AHCRTR1HCRTR2
SCHEMBL288652 0.84 P2RX7 (0.56) P2RX7GYS1KMT2AHCRTR1HCRTR2
SCHEMBL288651 0.84 P2RX7 (0.56) P2RX7GYS1KMT2AHCRTR1HCRTR2
SCHEMBL288849 0.84 P2RX7 (0.58) P2RX7GYS1KMT2ANPC1SIGMAR1
SCHEMBL1612852 0.84 P2RX7 (0.58) P2RX7GYS1KMT2ANPC1SIGMAR1
SCHEMBL2447839 0.84 GYS1 (0.52) P2RX7GYS1KMT2AHCRTR1HCRTR2

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 17 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
EP-0197318-B1 Benzo[C]-1,5-naphthyridines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-09 EP disclosed
US-4742171-A AROMATIZATION, REARRANGEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-03 US disclosed
US-4742061-A Benzoc[c]-1,5-naphthyridines and related compounds as memory enhancing agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-03 US disclosed
US-4670562-A MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US disclosed
US-4652567-A Benzo(c)-1,5-naphthyridines useful for treating a patient having drug induced memory impairment in need of memory enhancement HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-03-24 US disclosed
EP-0197318-A1 Benzo[C]-1,5-naphthyridines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-10-15 EP 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 1486/4885KMT2A 1409/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885KMT2A 1409/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885KMT2A 1409/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885GYS1 1486/4885KMT2A 1409/4885

“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.