SCHEMBL2248000

SCHEMBL2248000

COC(=O)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.60
SLC6A4 P31645 5/20 0.60
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PPARA Q07869 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC1A5 Q15758 1/20 0.48
CHRM1 P11229 1/20 0.48
MAPT P10636 1/20 0.47
CXCL8 P10145 1/20 0.47
KCNH2 Q12809 2/20 0.46
PNLIP P16233 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7254516 0.88 SLC6A4 (0.56) HTR2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL837233 0.88 RIPK1 (0.51) SLC6A4SLC6A2MEN1KMT2ACXCL8
SCHEMBL6935863 0.87 SLC6A4 (0.55) HTR2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1146416 0.86 HTR2A (0.54) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL872911 0.85 PPARA (0.53) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL10093148 0.85 SLC6A4 (0.43) HTR2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL872624 0.85 SLC6A4 (0.53) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL27897489 0.84 SLC6A4 (0.67) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL966658 0.83 PPARA (0.57) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL872958 0.83 CXCL8 (0.67) HTR2ASLC6A4SLC6A2SLC6A3PPARA

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 12 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
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-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-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-8426610-B2 Intermediate compounds for the preparation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]-oxepino[4,5-c]pyrrole MERCK SHARP & DOHME B.V. (NL) 2013-04-23 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
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
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
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
US-20110207942-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF TRANS-5-CHLORO-2-METHYL-2,3,3a,12b-TETRAHYDRO-1H-DIBENZ[2,3:6,7]-OXEPINO[4,5-c]PYRROLE MERCK SHARP & DOHME CORP. (US) 2011-08-25 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 (2 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-20110207942-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF TRANS-5-CHLORO-2-METHYL-2,3,3a,12b-TETRAHYDRO-1H-DIBENZ[2,3:6,7]-OXEPINO[4,5-c]PYRROLE ODC1, DHPS, OXTR HTR2A 719/4885SLC6A4 3467/4885SLC6A2 3875/4885
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 HTR2A 89/4885SLC6A4 1050/4885SLC6A2 1307/4885

“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.