SCHEMBL3488096

SCHEMBL3488096

O=C(O)N1CCC[C@H](CBr)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 3/20 0.35
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LIPE Q05469 1/20 0.33
CPN1 P15169 1/20 0.33

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
SCHEMBL15324652 1.00 ITGB3 (0.37) ITGB3ITGA2BALDH1A1LMNAEPHX2
SCHEMBL16973175 1.00 ITGB3 (0.37) ITGB3ITGA2BALDH1A1LMNAEPHX2
SCHEMBL25335914 0.88 TACR3 (0.39) ITGB3ITGA2BALDH1A1LMNAKDM4E
SCHEMBL2352547 0.88 TACR3 (0.39) ITGB3ITGA2BALDH1A1LMNAKDM4E
SCHEMBL29245349 0.88 TACR3 (0.39) ITGB3ITGA2BALDH1A1LMNAKDM4E
SCHEMBL2347493 0.85 AKR1C3 (0.36) ITGB3ITGA2BALDH1A1LMNAEPHX2
SCHEMBL21049974 0.83 CYP4F2 (0.39) ALDH1A1LMNAEPHX2SMN1; SMN2MEN1
SCHEMBL1777738 0.82 EPHX2 (0.48) ALDH1A1EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL3329964 0.82 EPHX2 (0.48) ALDH1A1EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL1183595 0.82 EPHX2 (0.48) ALDH1A1EPHX2SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103564-A1 P2X3 MODULATORS Bellus Health Cough Inc. (CA) 2022-12-21 EP disclosed
WO-2021161105-A1 P2X3 MODULATORS BELLUS HEALTH COUGH INC. (CA) 2021-08-19 WO disclosed
EP-3765458-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-01-20 EP disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed
EP-3507283-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2019-07-10 EP disclosed
WO-2018041947-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-08 WO disclosed
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
CN-102176911-B Novel adenine derivatives GLAXOSMITHKLINE LLC 2014-12-10 CN disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-8563717-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2013-10-22 US disclosed
CN-102176911-A Novel adenine derivatives GLAXOSMITHKLINE LLC 2011-09-07 CN disclosed
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
WO-2008063853-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-05-29 WO disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 ITGB3 3387/4885ITGA2B 1964/4885ALDH1A1 4166/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 ITGB3 3387/4885ITGA2B 1964/4885ALDH1A1 4166/4885
US-20140024664-A1 NOVEL ADENINE DERIVATIVES IFNAR1, STING1, IFNG ITGB3 3769/4885ITGA2B 3918/4885ALDH1A1 1680/4885
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BRCA1, TP53, SULT2A1 ITGB3 1587/4885ITGA2B 1993/4885ALDH1A1 197/4885

“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.