SCHEMBL875920

SCHEMBL875920

CN1CC2=C(C1=O)c1ccccc1Oc1ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.44
▸ DRD4 P21917 6/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HRH4 Q9H3N8 6/20 0.44
▸ HRH1 P35367 4/20 0.44
▸ HRH2 P25021 4/20 0.44
▸ CHRM2 P08172 3/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ ADRA2A P08913 3/20 0.44
▸ ADRA2B P18089 3/20 0.44
▸ ADRA2C P18825 3/20 0.44
▸ DRD1 P21728 3/20 0.44
▸ SLC6A2 P23975 3/20 0.44
▸ HTR2A P28223 3/20 0.44

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
SCHEMBL3152103 0.95 DRD2 (0.44) DRD2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL17589604 0.86 SETD7 (0.40) DRD2DRD4MAPTHRH4CHRM2
SCHEMBL14985777 0.74 FNTA (0.37) DRD4HRH4HRH1ADRA2AHTR2A
SCHEMBL10733741 0.73 DRD4 (0.57) DRD2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL13752344 0.73 DRD4 (0.48) DRD2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL11364230 0.72 SETD7 (0.53) DRD2DRD4MAPTHRH4CHRM2
Clopipazan SCHEMBL1816896 0.71 SETD7 (0.76) DRD2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL14771691 0.70 SETD7 (0.33) SETD7
SCHEMBL11648575 0.69 MAPK1 (0.43) DRD2DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL11654908 0.69 MAPK1 (0.43) DRD2DRD4CYP1A2CYP3A4CYP2D6

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 36 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
US-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 — — US disclosed
US-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 — — US disclosed
US-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 — — US disclosed
US-20130211099-A1 ASENAPINE MALEATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-15 — — US disclosed
US-20130211099-A1 ASENAPINE MALEATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-15 — — 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
EP-2582704-A2 ASENAPINE MALEATE Dr. Reddy's Laboratories Ltd. (IN) 2013-04-24 — — EP 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-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
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-20130211099-A1 ASENAPINE MALEATE CYP3A5, AANAT, ADRA2C DRD2 161/4885DRD4 348/4885CYP1A2 134/4885
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 DRD2 213/4885DRD4 198/4885CYP1A2 44/4885
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 DRD2 197/4885DRD4 163/4885CYP1A2 74/4885
US-20080214832-A1 Process for making asenapine CYP3A5, CYP3A4, CYP2C9 DRD2 57/4885DRD4 88/4885CYP1A2 11/4885

“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.

Send feedback