SCHEMBL119605

SCHEMBL119605

O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.52
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
ABCB11 O95342 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL119635 1.00 ACE (0.52) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL29400546 1.00 ACE (0.52) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL13252698 1.00 ACE (0.52) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL29398714 1.00 ACE (0.52) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL30951917 0.89 OPRM1 (0.46) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL17058900 0.88 POLB (0.47) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL31369965 0.88 ACE (0.41) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL19927592 0.88 AGTR2 (0.41) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL34468375 0.88 AGTR2 (0.51) ACEPOLBTDP1L3MBTL1FABP5
SCHEMBL19927591 0.88 AGTR2 (0.41) ACEPOLBTDP1L3MBTL1FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-3507275-A1 CXCR3 RECEPTOR AGONISTS Celgene International II Sarl (CH) 2019-07-10 EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 US disclosed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
EP-2170939-A1 KALLIKREIN 7 MODULATORS Novartis Ag (CH) 2010-04-07 EP disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 US disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-20080194537-A1 Compounds Modifying Apoptosis 2CUREX (DK) 2008-08-14 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 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 (7 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-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD ACE 3061/4885POLB 1772/4885TDP1 1696/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 ACE 4630/4885POLB 2573/4885TDP1 4401/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 ACE 4630/4885POLB 2573/4885TDP1 4401/4885
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 ACE 2245/4885POLB 3832/4885TDP1 2664/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 ACE 73/4885POLB 4716/4885TDP1 2388/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP ACE 343/4885POLB 1766/4885TDP1 3521/4885
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX ACE 99/4885POLB 2278/4885TDP1 1859/4885

“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.