SCHEMBL962986

SCHEMBL962986

COC(=O)C1=Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
TP53 P04637 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 2/20 0.48
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 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
SCHEMBL9949074 0.90 CA12 (0.54) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL2829838 0.87 LMNA (0.59) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL10094750 0.85 CA12 (0.49) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL30134836 0.85 CA12 (0.49) CA12CA9CA2LMNAALOX5
SCHEMBL24631402 0.85 CA12 (0.49) CA12CA9CA2LMNAALOX5
SCHEMBL10094749 0.77 LMNA (0.45) MAPTDRD2DRD4CA12CA9
SCHEMBL1146089 0.77 DRD2 (0.46) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL4038906 0.76 LMNA (0.71) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL2827619 0.76 LMNA (0.59) MAPTDRD2DRD4CYP1A2CYP3A4
SCHEMBL1842504 0.75 DRD2 (0.56) MAPTDRD2DRD4CYP1A2CYP3A4

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 29 patents — showing the first 20. 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
EP-2154134-B1 Process 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. MSD OSS BV (NL) 2012-10-24 EP disclosed
US-8288564-B2 Process for producing trans-dibenzoxenopyrrole compound and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-8288564-B2 Process for producing trans-dibenzoxenopyrrole compound and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-8288564-B2 Process for producing trans-dibenzoxenopyrrole compound and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110046393-A1 PROCESS FOR PRODUCING TRANS-DIBENZOXENOPYRROLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (TK) 2011-02-24 US disclosed
US-7875729-B2 Trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino [4,5-c]pyrrole; good isomeric purity; cyclization SYNTHON BV (NL) 2011-01-25 US disclosed
US-7872147-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 N. V. ORGANON (NL) 2011-01-18 US disclosed
US-20100152461-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 SCHERING CORPORATION 2010-06-17 US disclosed
EP-2166012-A1 PROCESS FOR PRODUCING TRANS-DIBENZOXENOPYRROLE COMPOUND AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2010-03-24 EP disclosed
EP-2154134-A1 Process 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. N.V. Organon (NL) 2010-02-17 EP disclosed
EP-1710241-B1 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 ORGANON NV (NL) 2009-11-04 EP disclosed
US-20080214832-A1 Process for making asenapine SYNTHON BV (NL) 2008-09-04 US disclosed
US-20060229352-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 ORGANON IRELAND LTD. (IE) 2006-10-12 US disclosed
EP-1710241-A1 Intermediate compounds for the prepation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole Organon Ireland Ltd. (IE) 2006-10-11 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 (4 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-20110046393-A1 PROCESS FOR PRODUCING TRANS-DIBENZOXENOPYRROLE COMPOUND AND INTERMEDIATE THEREFOR DHPS, CYP4F11, COMT MAPT 3713/4885DRD2 324/4885DRD4 99/4885
US-20060229352-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 DHPS, ODC1, OXTR MAPT 3847/4885DRD2 213/4885DRD4 198/4885
US-20100152461-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 MAPT 3807/4885DRD2 197/4885DRD4 163/4885
US-20080214832-A1 Process for making asenapine CYP3A5, CYP3A4, CYP2C9 MAPT 1071/4885DRD2 57/4885DRD4 88/4885

“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.