SCHEMBL871100

SCHEMBL871100

[c]1cccc2c1NCCO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KEAP1 Q14145 1/20 0.36
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
FABP6 P51161 1/20 0.33
GRM5 P41594 2/20 0.33
ADRB1 P08588 1/20 0.30

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
SCHEMBL5543750 0.80
SCHEMBL3871811 0.70 ITGB2 (0.35) ITGB2ICAM1ITGALKEAP1LMNA
SCHEMBL77466 0.69 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL2886599 0.69 ITGB2 (0.52) ITGB2ICAM1ITGALGAALMNA
SCHEMBL871099 0.67 GAA (0.55) ITGB2ICAM1ITGALALDH1A1GAA
SCHEMBL8942627 0.67 GAA (0.55) ITGB2ICAM1ITGALALDH1A1GAA
SCHEMBL3577696 0.67 MEN1 (0.32) ALDH1A1GAAMAPT
SCHEMBL88894 0.67 GAA (0.55) ITGB2ICAM1ITGALALDH1A1GAA
SCHEMBL56313 0.67 GAA (0.55) ITGB2ICAM1ITGALALDH1A1GAA
SCHEMBL21462 0.67 ITGB2 (0.50) ITGB2ICAM1ITGALGAALMNA

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US claimed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP claimed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US claimed
CN-107108601-B Glycosidase inhibitors 阿森纽荣股份公司 2021-08-20 CN disclosed
CN-110770226-A Sulfoximine glycosidase inhibitors 阿森纽荣股份公司 2020-02-07 CN disclosed
US-10227295-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-28 US disclosed
US-9751832-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-09-05 US disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
WO-2007108750-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2007-09-27 WO disclosed
EP-0901474-B1 ARYL PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 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 (3 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ITGB2 4103/4885ICAM1 3017/4885ITGAL 4166/4885
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 ITGB2 2708/4885ICAM1 4585/4885ITGAL 1968/4885
US-10227295-B2 Selective histone deactylase 6 inhibitors HDAC1, HDAC5, HDAC11 ITGB2 2708/4885ICAM1 4585/4885ITGAL 1968/4885

“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.