SCHEMBL8207110

SCHEMBL8207110

ClC1=Nc2ccccc2Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
MAOA P21397 1/20 0.43
TRPA1 O75762 1/20 0.41
MAPK1 P28482 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.39
TDO2 P48775 1/20 0.39
CDK8 P49336 1/20 0.39
CDK5 Q00535 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MST1R Q04912 1/20 0.39
PTK2 Q05397 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
SCHEMBL16372983 0.84 NOS3 (0.52) HRH4MAOANOS3NOS1NOS2
SCHEMBL14507200 0.84 MAPK1 (0.44) HRH4MAOAMAPK1KDM4ENPC1
SCHEMBL23242560 0.81 HTR2C (0.46) HRH4MAOAMAPK1KDM4ENPC1
SCHEMBL5062793 0.77 SRD5A2 (0.47) MAOATRPA1MAPK1HTR2AKDM4E
SCHEMBL85967 0.76 HRH4 (0.54) HRH4MAOATRPA1MAPK1MAPK8
SCHEMBL1772613 0.76 HRH4 (0.50) HRH4MAOATRPA1MAPK1MAPK8
SCHEMBL29466828 0.76 HRH4 (0.46) HRH4MAOATRPA1MAPK1MAPK8
SCHEMBL22966453 0.76 HRH4 (0.46) HRH4MAOATRPA1MAPK1MAPK8
SCHEMBL17321809 0.75 IDO1 (0.40) MAOAMAPK1CDK5MAP2K1KDM4E
SCHEMBL5100916 0.74 NOS3 (0.43) HRH4TRPA1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929688-B 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2024-11-01 CN disclosed
EP-4048667-B1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANOIC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION INC (US) 2024-07-03 EP disclosed
CN-115448927-A Epinastine hydrobromide crystal form II and preparation method thereof 重庆瑞泊莱医药科技有限公司 2022-12-09 CN disclosed
CN-114929688-A 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2022-08-19 CN disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
EP-0496306-B1 Process for the preparation of 3-amino-9,13b-dihydro-1H-dibenz-[c,f]imidazo[1,5-a]azepine hydrochloride BOEHRINGER INGELHEIM KG (DE) 1995-09-13 EP disclosed
US-5312916-A Process for preparing 3-amino-9,13b-dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepine-hydrochloride BOEHRINGER INGELHEIM KG (DE) 1994-05-17 US disclosed
EP-0496306-A1 Process for the preparation of 3-amino-9,13b-dihydro-1H-dibenz-[c,f]imidazo[1,5-a]azepine hydrochloride BOEHRINGER INGELHEIM KG (DE) 1992-07-29 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 (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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 HRH4 3527/4885MAOA 54/4885TRPA1 4346/4885
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B HRH4 246/4885MAOA 3902/4885TRPA1 183/4885
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof HTR2A, HTR5A, HTR2C HRH4 31/4885MAOA 187/4885TRPA1 274/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B HRH4 246/4885MAOA 3902/4885TRPA1 183/4885
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HRH4 596/4885MAOA 207/4885TRPA1 4872/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C HRH4 31/4885MAOA 187/4885TRPA1 274/4885

“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.