SCHEMBL23242561

SCHEMBL23242561

CCc1ccc2c(c1)Oc1cc(C)ccc1NC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
HTR2A P28223 1/20 0.42
ROS1 P08922 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL29800682 0.93 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242549 0.89 MAPT (0.56) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242596 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL29800657 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL29800664 0.81 CES1 (0.51) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242600 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242498 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242613 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL23242548 0.81 CES1 (0.51) ALDH1A1SMN1; SMN2HTTRAB9AMITF
SCHEMBL29800908 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMITF

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 8 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
EP-4048667-A1 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)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS Alairion, Inc. (US) 2022-08-31 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 ALDH1A1 751/4885SMN1; SMN2 1998/4885HTT 1639/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C ALDH1A1 751/4885SMN1; SMN2 1998/4885HTT 1639/4885

“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.