SCHEMBL85731

SCHEMBL85731

CC1=Nc2ccccc2Sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL8022326 0.78 DRD2 (0.43) DRD2TRPA1BACE1LMNACHRM2
SCHEMBL22328965 0.78 MAPT (0.39) DRD2KDM4EALDH1A1BACE1LMNA
SCHEMBL8470 0.76 DRD2 (0.47) DRD2TRPA1BACE1LMNACHRM2
SCHEMBL20829220 0.76 DRD2 (0.47) DRD2ALDH1A1TRPA1BACE1LMNA
SCHEMBL88348 0.76 BACE1 (0.57) DRD2KDM4ETRPA1BACE1LMNA
SCHEMBL12778506 0.76 DRD2 (0.47) DRD2ALDH1A1TRPA1BACE1LMNA
SCHEMBL12844946 0.76 DRD2 (0.47) DRD2ALDH1A1TRPA1BACE1LMNA
SCHEMBL22328980 0.76 MAPT (0.39) DRD2KDM4EALDH1A1LMNACHRM2
SCHEMBL10202613 0.76 DRD2 (0.44) DRD2TRPA1BACE1LMNACHRM2
SCHEMBL12045010 0.76 DRD2 (0.44) DRD2ALDH1A1TRPA1BACE1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4124616-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2023-02-01 EP disclosed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed
EP-3305784-B1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2020-08-12 EP disclosed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
EP-3309151-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2018-04-18 EP disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-9156820-B2 Polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-04-21 US disclosed
US-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US disclosed
US-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US disclosed
EP-1856073-B1 A PROCESS FOR THE PREPARATION OF AN 11-(4-SUBSTITUTED-I-PIPERAZINYL)DIBENZO[b,f][1,4]THIAZEPINE DERIVATIVE UNION QUIMICO FARMA (ES) 2010-05-12 EP disclosed
WO-2008121415-A2 IMPROVED PROCESS FOR PREPARING QUETIAPINE FUMARATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-09 WO disclosed
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative UNION QUIMICO-FARMACEUTICA S.A. (ES) 2008-07-17 US disclosed
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative UNION QUIMICO-FARMACEUTICA S.A. (ES) 2008-07-17 US disclosed
WO-2008066620-A2 DIBENZOTHIAZEPINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-06-05 WO disclosed
EP-1602650-B1 Method for the preparation of quetiapine by reductive N-alkylation of 11-Piperazinodibenzo(B,F) (1,4)Thioazepin with an aldehyde CELON PHARMA SP Z O O (PL) 2007-10-24 EP disclosed
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS ) (FR) 2007-02-08 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 (6 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-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 DRD2 2733/4885KDM4E 2700/4885ALDH1A1 2586/4885
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 DRD2 4431/4885KDM4E 4036/4885ALDH1A1 4540/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 DRD2 996/4885KDM4E 125/4885ALDH1A1 1086/4885
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative SDHB, SDHA, CYP2F1 DRD2 907/4885KDM4E 683/4885ALDH1A1 513/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 DRD2 2733/4885KDM4E 2700/4885ALDH1A1 2586/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 DRD2 947/4885KDM4E 52/4885ALDH1A1 235/4885

“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.