SCHEMBL3308447

SCHEMBL3308447

O=C(COCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
NAAA Q02083 2/20 0.44
ALDH1A1 P00352 1/20 0.43
IDH1 O75874 2/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL3308451 1.00 GRM5 (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL9970285 1.00 GRM5 (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL18122135 0.91 CACNA1G (0.43) GRM5NAAAALDH1A1FAAH
SCHEMBL1750169 0.90 ALDH1A1 (0.55) NAAAALDH1A1IDH1FAAH
SCHEMBL1750168 0.90 ALDH1A1 (0.55) NAAAALDH1A1IDH1FAAH
SCHEMBL4299854 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL19713409 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL4299858 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL27009026 0.88 FAAH (0.49) NAAAALDH1A1IDH1FAAH
SCHEMBL27009889 0.88 FAAH (0.49) NAAAALDH1A1IDH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 US disclosed
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 US disclosed
US-20200231562-A1 NOVEL MACROLIDE ANTIBIOTICS LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. (HKI) (DE) 2020-07-23 US disclosed
US-20200231562-A1 NOVEL MACROLIDE ANTIBIOTICS LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. (HKI) (DE) 2020-07-23 US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 US disclosed
EP-3166934-B1 NOVEL MACROLIDE ANTIBIOTICS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-05-23 EP disclosed
EP-3166934-B1 NOVEL MACROLIDE ANTIBIOTICS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-05-23 EP disclosed
WO-2017137469-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2017-08-17 WO disclosed
EP-3166934-A1 NOVEL MACROLIDE ANTIBIOTICS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-05-17 EP disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO 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 (5 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-20200231562-A1 NOVEL MACROLIDE ANTIBIOTICS MRPL21, MRPS18A, LSS GRM5 3553/4885NAAA 1301/4885ALDH1A1 4483/4885
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE FABP3, TNNI3, TNNT2 GRM5 2198/4885NAAA 3498/4885ALDH1A1 510/4885
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. FABP3, TNNI3, TNNT2 GRM5 2062/4885NAAA 3181/4885ALDH1A1 469/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GRM5 1053/4885NAAA 1410/4885ALDH1A1 1380/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GRM5 1053/4885NAAA 1410/4885ALDH1A1 1380/4885

“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.