SCHEMBL23242558

SCHEMBL23242558

Cc1ccc2c(c1)Cc1ccccc1C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1G1 Q9HCP0 1/20 0.56
ACVR1 Q04771 2/20 0.55
LRRK2 Q5S007 2/20 0.55
ROS1 P08922 1/20 0.55
CDK5 Q00535 1/20 0.55
CASP6 P55212 2/20 0.53
TDP2 O95551 1/20 0.53
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP8 Q14790 1/20 0.53
MAP3K14 Q99558 1/20 0.53
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL21000480 0.88 MAOA (0.56) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL18020364 0.88 CSNK1G1 (0.56) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL2087698 0.81 TDP2 (0.66) ACVR1LRRK2CASP6TDP2CASP3
SCHEMBL11537959 0.80 ROS1 (0.47) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL11927570 0.77 HTR5A (0.52) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL9670200 0.77 CASP6 (0.51) CSNK1G1ACVR1LRRK2ROS1CDK5
SCHEMBL6905673 0.75 MAOA (0.67) CASP6MAPTGAAALDH1A1NPC1
SCHEMBL433708 0.74 AHR (0.61) GAACYP1A2GRIA1CACNG8MAOB
SCHEMBL31400232 0.74 ALDH1A1 (0.59) MAPTGAAALDH1A1NPC1CYP1A2
SCHEMBL1609497 0.74 ALDH1A1 (0.59) MAPTGAAALDH1A1NPC1CYP1A2

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 CSNK1G1 1967/4885ACVR1 1485/4885LRRK2 3945/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C CSNK1G1 1967/4885ACVR1 1485/4885LRRK2 3945/4885

“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.