SCHEMBL6370589

SCHEMBL6370589

O=C(OCc1ccc2c(c1)Cc1ccccc1-2)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
FAAH O00519 1/20 0.41
SRD5A2 P31213 1/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP17A1 P05093 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL20621602 0.84 MAPT (0.43) RAB9ANPC1SMN1; SMN2MAPK1CYP1A2
SCHEMBL1527717 0.79 PNMT (0.45) RAB9ANPC1SMN1; SMN2HTR2BALDH1A1
Fluorene SCHEMBL23748026 0.78 MAOA (0.42) SRD5A2RAB9ANPC1MAPK1HTR2C
SCHEMBL142445 0.78 ALDH1A1 (0.47) RAB9ANPC1MAPK1SLC6A2ALDH1A1
SCHEMBL11323517 0.78 ALDH1A1 (0.47) RAB9ANPC1MAPK1SLC6A2ALDH1A1
SCHEMBL7384746 0.77 ALDH1A1 (0.51) GPR84FAAHSRD5A2RAB9ATSHR
Fluorene SCHEMBL27844771 0.77 MAOA (0.44) SRD5A2RAB9ANPC1MAPK1HTR2C
SCHEMBL1279658 0.76 ALDH1A1 (0.46) RAB9ANPC1MAPK1SLC6A2ALDH1A1
Carbamic Acid SCHEMBL28871401 0.74 CYP2C19 (0.44) RAB9ANPC1SMN1; SMN2MAPK1SLC6A2
SCHEMBL17103886 0.74 MMP1 (0.49) TSHRMAOAHTTALDH1A1MEN1

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
WO-2025032254-A1 ANTHRACYCLINE DERIVATIVES AND CONJUGATES AND USES THEREOF ASTRAZENECA AB (SE) 2025-02-13 WO disclosed
US-6858396-B2 Positively charged non-natural amino acids, methods of making and using thereof in peptides MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2005-02-22 US disclosed
US-6783946-B2 CLOSELY REPLICATE THE NATURAL AMINO ACIDS LYSINE AND ARGININE. MEDICAL UNIVERSITY OF SOUTH CAROLINA 2004-08-31 US disclosed
EP-1366017-A2 NON-NATURAL BASIC AMINO ACIDS, THEIR PREPARATION AND USE MUSC Foundation For Research Development (US) 2003-12-03 EP disclosed
US-6566330-B1 As chemical intermediate MEDICAL UNIVERSITY OF SOUTH CAROLINA FOUNDATION RESEARCH DEVELOPMENT 2003-05-20 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
EP-0998280-A4 CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES INCARA PHARMACEUTICALS CORP (US) 2002-11-06 EP disclosed
US-20020137730-A1 Positively charged non-natural amino acids, methods of making and using thereof in peptides MEDICAL UNIVERSITY OF SOUTH CAROLINA 2002-09-26 US disclosed
US-20020068701-A1 Positively charged non-natural amino acids, methods of making thereof, and use thereof in peptides MEDICAL UNIVERSITY OF SOUTH CAROLINA 2002-06-06 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002022553-A2 NON-NATURAL BASIC AMINO ACIDS, THEIR PREPARATION AND USE MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2002-03-21 WO disclosed
US-6358922-B1 ARGININE DERIVATIVES MEDICAL UNIVERSITY OF SOUTH CAROLINA 2002-03-19 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
EP-0998280-A1 CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES Incara Pharmaceuticals Corp. (US) 2000-05-10 EP disclosed
US-6043218-A Positively charged non-natural amino acids, methods of making thereof, and use thereof in peptides MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2000-03-28 US disclosed
WO-1998053813-A1 CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES INCARA PHARMACEUTICALS CORP. (US) 1998-12-03 WO disclosed
WO-1998017626-A2 POSITIVELY CHARGED NON-NATURAL AMINO ACIDS, METHODS OF MAKING THEREOF, AND USE THEREOF IN PEPTIDES MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 1998-04-30 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 (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-20020068701-A1 Positively charged non-natural amino acids, methods of making thereof, and use thereof in peptides ARGLU1, NGLY1, QPCTL GPR84 1087/4885FAAH 3750/4885SRD5A2 4768/4885
US-20020137730-A1 Positively charged non-natural amino acids, methods of making and using thereof in peptides NGLY1, LNPEP, DNPEP GPR84 1776/4885FAAH 4299/4885SRD5A2 4814/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP GPR84 3306/4885FAAH 559/4885SRD5A2 1101/4885

“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.