SCHEMBL23242565

SCHEMBL23242565

COc1ccc2c(c1)Oc1cc(F)ccc1N=C2Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.51
HRH4 Q9H3N8 1/20 0.47
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 6/20 0.38
TRPA1 O75762 1/20 0.38
AMY1A P0DUB6 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HRH1 P35367 3/20 0.36

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
SCHEMBL23242608 0.88 HTR2A (0.52) HTR2AHRH4MAOBTRPA1AMY1A
SCHEMBL30950723 0.88 HTR2A (0.52) HTR2AHRH4MAOBTRPA1AMY1A
SCHEMBL23242615 0.87 HRH4 (0.53) HTR2AHRH4MAOBHRH1
SCHEMBL23242604 0.82 HRH4 (0.50) HTR2AHRH4MAPTMAOBHRH1
SCHEMBL23242513 0.82 HRH4 (0.50) HTR2AHRH4MAPTMAOBHRH1
SCHEMBL11505586 0.78 TRPA1 (0.41) HTR2ATP53MAPTMAOBTRPA1
SCHEMBL1365008 0.73 TRPA1 (0.50) HTR2AHRH4TP53MAPTTRPA1
SCHEMBL23242532 0.73 HRH4 (0.44) HTR2AHRH4MAOBHRH1
SCHEMBL23242612 0.69 HTR2A (0.50) HTR2AHRH4HRH1
SCHEMBL29800783 0.69 HTR2A (0.50) HTR2AHRH4HRH1

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 4 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
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-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 HTR2A 1/4885HRH4 31/4885TP53 4530/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C HTR2A 1/4885HRH4 31/4885TP53 4530/4885

“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.