SCHEMBL23242587

SCHEMBL23242587

FC(F)c1ccc2c(c1)Oc1ccccc1N=C2N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.60
HTR2A P28223 6/20 0.60
HRH1 P35367 5/20 0.60
CHRM1 P11229 5/20 0.60
HTR2C P28335 4/20 0.60
ADRA2A P08913 4/20 0.60
CHRM2 P08172 4/20 0.60
CHRM4 P08173 4/20 0.60
CHRM5 P08912 4/20 0.60
CHRM3 P20309 4/20 0.60
DRD1 P21728 4/20 0.60
KCNH2 Q12809 4/20 0.60
DRD4 P21917 4/20 0.60
HTR1A P08908 3/20 0.60
HRH2 P25021 3/20 0.60
ADRA2B P18089 3/20 0.60
ADRA2C P18825 3/20 0.60
ADRA1A P35348 3/20 0.60
HTR2B P41595 3/20 0.60
DRD3 P35462 3/20 0.60

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
SCHEMBL167601 0.82 DRD2 (0.74) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL29969899 0.82 DRD2 (0.74) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL3409085 0.79 CHRM1 (0.60) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL2615197 0.77 DRD2 (0.74) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL23242528 0.77 HTR2A (0.56) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL23242554 0.76 HTR2A (0.69) HTR2AHRH1HTR2C
SCHEMBL23242531 0.76 HTR2A (0.84) DRD2HTR2AHRH1HTR2C
SCHEMBL4461522 0.75 HRH4 (0.48) DRD2HTR2AHRH1CHRM1HTR2C
SCHEMBL3411889 0.75 DRD2 (0.74) DRD2HTR2AHRH1CHRM1HTR2C
Amoxapine SCHEMBL33950 0.75 DRD2 (1.00) DRD2HTR2AHRH1CHRM1HTR2C

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 DRD2 37/4885HTR2A 1/4885HRH1 30/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C DRD2 37/4885HTR2A 1/4885HRH1 30/4885

“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.