SCHEMBL14784609

SCHEMBL14784609

COc1ccccc1SCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KMT2A Q03164 2/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
APLNR P35414 1/20 0.43
SCN5A Q14524 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HAO1 Q9UJM8 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL12433742 0.84 SCN5A (0.46) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL10509506 0.83 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2207267 0.82 MTNR1A (0.47) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2206369 0.82 MTNR1A (0.47) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL6068496 0.81 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL6068403 0.81 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL6068402 0.81 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2069498 0.80 MTNR1A (0.51) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2069117 0.80 MTNR1A (0.51) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2284298 0.79 MTNR1A (0.62) MTNR1AMTNR1BKMT2ACA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755649-A1 USE OF 3-(R)-[3-(2-METHOXYPHENYLTHIO)-2-(S)-METHYLPROPYL]AMINO-3,4-DIHYDRO- 2H-1,5-BENZOXATHIEPINE FOR PREVENTING AND/OR TREATING CARDIOTOXIC EFFECTS CAUSED BY CHEMOTHERAPY AND/OR RADIATION Pierre Fabre Médicament (FR) 2014-07-23 EP claimed
WO-2013037905-A1 USE OF 3-(R)-[3-(2-METHOXYPHENYLTHIO)-2-(S)-METHYLPROPYL]AMINO-3,4-DIHYDRO- 2H-1,5-BENZOXATHIEPINE FOR PREVENTING AND/OR TREATING CARDIOTOXIC EFFECTS CAUSED BY CHEMOTHERAPY AND/OR RADIATION PIERRE FABRE MEDICAMENT (FR) 2013-03-21 WO claimed
WO-2022249006-A1 USE OF 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS AG (CH) 2022-12-01 WO disclosed
US-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-27 US disclosed
EP-4065228-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS Novartis AG (CH) 2022-10-05 EP disclosed
US-11427586-B2 1,2,4-oxadiazole derivatives as liver X receptor agonists NOVARTIS AG (CH) 2022-08-30 US disclosed
CN-114746149-A 1,2, 4-oxadiazole derivatives as liver X receptor agonists 诺华股份有限公司 2022-07-12 CN disclosed
US-20220064164-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-03-03 US disclosed
WO-2021105857-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS AG (CH) 2021-06-03 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-20220064164-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 MTNR1A 23/4885MTNR1B 36/4885KMT2A 4687/4885
US-11427586-B2 1,2,4-oxadiazole derivatives as liver X receptor agonists NR1H4, GPBAR1, NR1I2 MTNR1A 23/4885MTNR1B 36/4885KMT2A 4687/4885
US-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 MTNR1A 23/4885MTNR1B 36/4885KMT2A 4687/4885

“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.