SCHEMBL872624

SCHEMBL872624

COC(=O)CN(C)C(=O)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 3/20 0.53
HTR2A P28223 2/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARA Q07869 1/20 0.46
SLC1A5 Q15758 1/20 0.44
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NPY5R Q15761 1/20 0.39
PNLIP P16233 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
SCHEMBL9995320 0.89 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL10093029 0.86 L3MBTL1 (0.44) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL8471261 0.85 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL2248000 0.85 HTR2A (0.60) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL878121 0.85 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL13474499 0.83 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AMEN1
SCHEMBL12361548 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2APPARA
SCHEMBL13752339 0.80 L3MBTL1 (0.43) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL28801696 0.79 PPARA (0.54) SLC6A4SLC6A2SLC6A3HTR2APPARA
SCHEMBL12353135 0.78 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2APPARA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038975-A2 PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF MSN LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
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-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 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-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-20130211099-A1 ASENAPINE MALEATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-15 US disclosed
WO-2013061247-A1 NOVEL PROCESS FOR THE PREPARATION OF ASENAPINE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2013-05-02 WO 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-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
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-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-20080214832-A1 Process for making asenapine SYNTHON BV (NL) 2008-09-04 US disclosed
WO-2008081010-A1 PROCESS FOR MAKING ASENAPINE SYNTHON B.V. (NL) 2008-07-10 WO 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
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

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-20130211099-A1 ASENAPINE MALEATE CYP3A5, AANAT, ADRA2C SLC6A4 17/4885SLC6A2 14/4885SLC6A3 49/4885
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 SLC6A4 3477/4885SLC6A2 3966/4885SLC6A3 1675/4885
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 SLC6A4 3467/4885SLC6A2 3875/4885SLC6A3 1508/4885
US-20080214832-A1 Process for making asenapine CYP3A5, CYP3A4, CYP2C9 SLC6A4 151/4885SLC6A2 247/4885SLC6A3 487/4885

“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.