SCHEMBL801272

SCHEMBL801272

Cc1ccc2c(c1)[C@H]1CN(C)C[C@@H]1c1ccccc1O2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.72
HTR2C P28335 6/20 0.72
SLC6A2 P23975 3/20 0.72
SLC6A4 P31645 3/20 0.72
SLC6A3 Q01959 3/20 0.72
HRH1 P35367 3/20 0.72
HTR6 P50406 2/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
DRD2 P14416 1/20 0.72
GABRA1 P14867 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
DRD1 P21728 1/20 0.72
DRD4 P21917 1/20 0.72
ADRA1D P25100 1/20 0.72
ADRA1A P35348 1/20 0.72
ADRA1B P35368 1/20 0.72
DRD3 P35462 1/20 0.72

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
SCHEMBL8034632 1.00 HTR2A (0.72) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL11372890 1.00 HTR2A (0.72) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL12412822 1.00 HTR2A (0.72) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL12437778 0.91 HTR2A (0.63) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL11369932 0.90 HTR6 (0.60) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL4253544 0.87 HTR2A (0.73) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL1146217 0.87 HTR2A (0.73) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL12072060 0.87 HTR2A (0.73) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3716425 0.87 HTR2A (0.73) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL12856888 0.87 HTR2A (0.73) HTR2AHTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130225835-A1 NOVEL PROCESS FOR THE PREPARATION OF ASENAPINE LABORATORIOS LESVI, S.L. (ES) 2013-08-29 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-2433939-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME Alla Chem, LLC. (US) 2012-03-28 EP disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-20110136853-A1 LIGAND WITH A BROAD SPECTRUM OF PHARMACOLOGICAL ACTIVITY, A PHARMACEUTICAL COMPOSITION, A MEDICINAL AGENT AND A METHOD OF TREATMENT IVASCHENKO ANDREY ALEXANDROVICH 2011-06-09 US disclosed
US-20110136853-A1 LIGAND WITH A BROAD SPECTRUM OF PHARMACOLOGICAL ACTIVITY, A PHARMACEUTICAL COMPOSITION, A MEDICINAL AGENT AND A METHOD OF TREATMENT IVASCHENKO ANDREY ALEXANDROVICH 2011-06-09 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
WO-2010134846-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2010-11-25 WO disclosed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP disclosed
US-4271177-A 2,3,3a,12b-Tetrahydro-1H-dibenzo[2,3;6,7]thiepino[4,5-c]pyrroles and pharmaceutical use thereof AKZONA INCORPORATED (US) 1981-06-02 US disclosed
US-4271178-A 1,2,3,3a,8,12b-Hexahydro-dibenzo[b,f]pyrrolo[3,4-d]azepines and pharmaceutical use thereof AKZONA INCORPORATED (US) 1981-06-02 US disclosed
US-4271179-A 1,2,3,3a,8,12b-Hexahydro-dibenzo[1,2;5,6]cyclohepta[3,4-C]pyrroles and pharmaceutical use thereof AKZONA INCORPORATED (US) 1981-06-02 US disclosed
US-4177275-A Tension reducing 2,3,4,4a,9,13b-hexahydro-1H-dibenzo[b,f]pyrido[3,4-d]azepine derivatives AKZONA INC. (US) 1979-12-04 US disclosed
US-4158058-A DEPRESSANTS; ANTIHISTAMINES; ANTISEROTONINE AGENTS AKZONA INCORPORATED (US) 1979-06-12 US disclosed
US-4154836-A DEPRESSANT, ANTIHISTAMINE, ANTISEROTININE, NEUROLEPTIC AKZONA INCORPORATED (US) 1979-05-15 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 (5 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-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 HTR2A 51/4885HTR2C 10/4885SLC6A2 85/4885
US-20110136853-A1 LIGAND WITH A BROAD SPECTRUM OF PHARMACOLOGICAL ACTIVITY, A PHARMACEUTICAL COMPOSITION, A MEDICINAL AGENT AND A METHOD OF TREATMENT CNR1, TRPV1, TRPM7 HTR2A 130/4885HTR2C 76/4885SLC6A2 70/4885
US-20130225835-A1 NOVEL PROCESS FOR THE PREPARATION OF ASENAPINE CYP3A5, ADRB1, ADRA1B HTR2A 489/4885HTR2C 454/4885SLC6A2 54/4885
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 HTR2A 47/4885HTR2C 9/4885SLC6A2 60/4885
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 89/4885HTR2C 8/4885SLC6A2 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.