SCHEMBL4245648

SCHEMBL4245648

COc1ccc2[nH]c(C)c(CC(N)=O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.78
HTR1D P28221 2/20 0.64
HTR6 P50406 2/20 0.64
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
HTR1A P08908 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR1E P28566 1/20 0.58
HTR7 P34969 1/20 0.58
HTR5A P47898 1/20 0.58
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 8/20 0.56
MAPT P10636 6/20 0.56
MCL1 Q07820 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HSD17B10 Q99714 5/20 0.54
HPGD P15428 3/20 0.54
PTPN5 P54829 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL7956382 0.89 AKR1C2 (0.61) AKR1C2HTR1DHTR6MTNR1AMTNR1B
Deschlorobenzoyl Indomethacin SCHEMBL454792 0.87 AKR1C2 (1.00) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL10205891 0.87 AKR1C2 (0.80) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL6825151 0.86 AKR1C2 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL8681515 0.86 AKR1C2 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL30604527 0.86 AKR1C2 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
Deboxamet SCHEMBL29387753 0.84 AKR1C2 (0.74) AKR1C2HTR1DHTR6MTNR1AMTNR1B
Deboxamet SCHEMBL186946 0.84 AKR1C2 (0.74) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL10165841 0.84 AKR1C2 (0.74) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL8270880 0.84 AKR1C2 (0.74) AKR1C2HTR1DHTR6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710434-A Modulators of MAS-related G protein receptor X2 and related products and uses thereof 伊赛恩特制药公司 2023-09-05 CN disclosed
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 US disclosed
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors ILYPSA, INC. 2008-02-28 US disclosed
EP-1638612-A2 COX-2-TARGETED IMAGING AGENTS Vanderbilt University (US) 2006-03-29 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050002859-A1 COX-2-targeted imaging agents VANDERBILT UNIVERSITY (US) 2005-01-06 US disclosed
WO-2005002293-A2 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2005-01-06 WO disclosed
EP-1225882-A4 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES UNIV VANDERBILT (US) 2004-12-29 EP disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1225882-A1 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES Vanderbilt University (US) 2002-07-31 EP disclosed
US-6306890-B1 COMPOUNDS FOR INHIBITING CYCLOOXYGENASE VANDERBILT UNIVERSITY 2001-10-23 US disclosed
WO-2001015686-A1 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES VANDERBILT UNIVERSITY (US) 2001-03-08 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 (8 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 AKR1C2 52/4885HTR1D 1831/4885HTR6 4634/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK AKR1C2 3730/4885HTR1D 1518/4885HTR6 2015/4885
US-20050002859-A1 COX-2-targeted imaging agents PTGS2, PTGES2, PTGER2 AKR1C2 2409/4885HTR1D 2418/4885HTR6 472/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 AKR1C2 3644/4885HTR1D 122/4885HTR6 148/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK AKR1C2 3730/4885HTR1D 1518/4885HTR6 2015/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 AKR1C2 131/4885HTR1D 942/4885HTR6 4376/4885
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 AKR1C2 2409/4885HTR1D 2418/4885HTR6 472/4885
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors PNLIP, PLA2G1B, PLA2G4A AKR1C2 1166/4885HTR1D 1342/4885HTR6 1021/4885

“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.