SCHEMBL23242560

SCHEMBL23242560

Cc1ccc2c(c1)Cc1ccccc1C(Cl)=N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HRH4 Q9H3N8 2/20 0.39
RAB9A P51151 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 4/20 0.38
PKM P14618 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 3/20 0.36
ACHE P22303 2/20 0.36
MAOA P21397 1/20 0.35
MEN1 O00255 3/20 0.35
CASP6 P55212 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8207110 0.81 HRH4 (0.50) HRH4RAB9AKMT2AKDM4EMAPT
SCHEMBL14507200 0.74 MAPK1 (0.44) HRH4RAB9AKDM4EMAPTNPC1
SCHEMBL1609497 0.74 ALDH1A1 (0.59) HTR2CRAB9AKMT2AKDM4EMAPT
SCHEMBL31400232 0.74 ALDH1A1 (0.59) HTR2CRAB9AKMT2AKDM4EMAPT
SCHEMBL20748827 0.71 ELANE (0.41) RAB9AKMT2AKDM4EMAPTNPC1
SCHEMBL23298998 0.71 RAB9A (0.45) HTR2CHRH4RAB9AKMT2AKDM4E
SCHEMBL16372983 0.71 NOS3 (0.52) HRH4RAB9AKDM4EMAPTNPC1
SCHEMBL10354186 0.70 PDE3B (0.41) HTR2CRAB9AKMT2AKDM4EMAPT
SCHEMBL547186 0.70 ALDH1A1 (0.53) HTR2CRAB9AKMT2AKDM4EMAPT
SCHEMBL21251223 0.69 MAPT (0.61) RAB9AKMT2AKDM4EMAPTNPC1

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11046651-B2 Piperazine substituted azapine derivatives and uses thereof HTR2A, HTR5A, HTR2C HTR2C 3/4885HRH4 31/4885RAB9A 1648/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C HTR2C 3/4885HRH4 31/4885RAB9A 1648/4885

“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.