SCHEMBL961507

SCHEMBL961507

NC(=O)CCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.63
TDP1 Q9NUW8 1/20 0.55
GPR84 Q9NQS5 1/20 0.51
CDYL Q9Y232 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MPO P05164 1/20 0.49
PARP10 Q53GL7 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
ACP3 P15309 1/20 0.49
P2RX7 Q99572 1/20 0.48
COPS5 Q92905 1/20 0.48
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1284856 0.91 MTNR1A (0.62) MTNR1ATDP1MEN1KMT2AMPO
SCHEMBL7340131 0.85 TDP1 (0.58) MTNR1ATDP1GPR84CDYLACP3
SCHEMBL4564283 0.84 MTNR1A (0.54) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL1566760 0.83 TDP1 (0.56) MTNR1ATDP1GPR84CDYLACP3
SCHEMBL3630056 0.83 MTNR1A (0.56) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL1218835 0.83 TDP1 (0.67) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL30307853 0.83 TDP1 (0.67) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL9321175 0.82 MTNR1A (0.47) MTNR1AMPOKDM4E
SCHEMBL2300013 0.81 TDP1 (0.55) MTNR1ATDP1GPR84CDYLACP3
Hydrochloric Acid SCHEMBL11319694 0.81 TDP1 (0.65) MTNR1ATDP1GPR84CDYLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN claimed
EP-1814860-B1 SUBSTITUTED 5-CARBOXYAMIDE PYRAZOLES AND [1,2,4]TRIAZOLES AS ANTIVIRAL AGENTS SCHERING CORP (US) 2009-06-03 EP claimed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP claimed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP claimed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO claimed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-114671900-B Boric acid compound and application thereof 广州医科大学 2025-01-28 CN disclosed
CN-107690436-B Method for forming complexes, complexes and use thereof 庄信万丰股份有限公司 2023-12-22 CN disclosed
US-20230339913-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. 2023-10-26 US disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0456266-A1 Method for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds, intermediates therefor and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-13 EP disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP 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 (1 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-20230339913-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS SARM1, SARNP, ADRM1 MTNR1A 3451/4885TDP1 232/4885GPR84 3852/4885

“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.