SCHEMBL12433742

SCHEMBL12433742

CCC(C)CSc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTGS2 P35354 3/20 0.37
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL2207267 0.85 MTNR1A (0.47) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL2206369 0.85 MTNR1A (0.47) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL14784609 0.84 MTNR1A (0.47) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL14044242 0.79 CA12 (0.43) KMT2ACA12CA1CA2CA7
SCHEMBL6068723 0.79 MTNR1A (0.44) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL6068727 0.79 MTNR1A (0.44) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL10509506 0.79 MTNR1A (0.46) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL12944996 0.78 SCN5A (0.39) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL4797235 0.78 MTNR1A (0.43) SCN5AMTNR1AMTNR1BKMT2ACA12
SCHEMBL29588480 0.78 MTNR1A (0.43) SCN5AMTNR1AMTNR1BKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982054-B2 Process for the synthesis of N-[3-[(2-methoxyphenyl] sulfanyl] -2-methylpropyl] -3,4-dihydro-2H-1,5-benzoxathiepin-3-amine PIERRE FABRE MEDICAMENT (FR) 2011-07-19 US disclosed
US-20090318709-A1 PROCESS FOR THE SYNTHESIS OF N-[3-[(2-METHOXYPHENYL] SULFANYL] -2-METHYLPROPYL] -3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE. PIERRE FABRE MEDICAMENT (FR) 2009-12-24 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 (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-20090318709-A1 PROCESS FOR THE SYNTHESIS OF N-[3-[(2-METHOXYPHENYL] SULFANYL] -2-METHYLPROPYL] -3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE. HTR3A, DHPS, HTR3C SCN5A 586/4885MTNR1A 1095/4885MTNR1B 1198/4885

“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.