SCHEMBL10093147

SCHEMBL10093147

COC(=O)Cc1cc(Cl)ccc1Oc1ccc([Y])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
HTR2A P28223 7/20 0.51
KCNH2 Q12809 6/20 0.51
MAPT P10636 2/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FFAR1 O14842 2/20 0.41
AKR1C3 P42330 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL967886 0.86 L3MBTL1 (0.51) SLC6A4HTR2AKCNH2MAPTMEN1
SCHEMBL10093148 0.81 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2SLC6A3FFAR1
SCHEMBL7135010 0.80 MEN1 (0.54) MAPTMEN1KMT2AGAACYP1A2
SCHEMBL2248000 0.78 HTR2A (0.60) SLC6A4HTR2AKCNH2MAPTSLC6A2
SCHEMBL9128207 0.77 HTR2A (0.63) SLC6A4HTR2AKCNH2MAPT
SCHEMBL11574819 0.76 CHRM1 (0.58) SLC6A4HTR2AKCNH2MAPTSLC6A2
SCHEMBL2557947 0.75 SLC6A4 (0.49) SLC6A4HTR2AKCNH2MAPTSLC6A2
SCHEMBL9125695 0.74 HTR2A (0.49) SLC6A4HTR2AKCNH2FFAR1AKR1C3
SCHEMBL21218582 0.74 MTNR1A (0.52) MAPTMEN1KMT2AGAACYP1A2
SCHEMBL8153873 0.74 L3MBTL1 (0.49) SLC6A4HTR2AKCNH2MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 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-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE DHPS, CYP3A5, ALKBH5 SLC6A4 1050/4885HTR2A 89/4885KCNH2 415/4885

“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.