SCHEMBL23242521

SCHEMBL23242521

C/C=C/c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
PIM1 P11309 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
RARB P10826 2/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
CNR2 P34972 1/20 0.43
HNF4A P41235 1/20 0.41
POLB P06746 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
PTGS2 P35354 1/20 0.40
TYR P14679 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL23242522 1.00 PTPN1 (0.45) PTPN1PIM1PTPN2PTPN6RARB
SCHEMBL5382447 0.86 PTPN1 (0.49) PTPN1PIM1PTPN2PTPN6CNR2
SCHEMBL5382446 0.86 PTPN1 (0.49) PTPN1PIM1PTPN2PTPN6CNR2
SCHEMBL5382455 0.86 PTPN1 (0.49) PTPN1PIM1PTPN2PTPN6CNR2
SCHEMBL23268886 0.81 PTGS2 (0.48) PTPN1CNR2POLBTUBB1PTGS2
SCHEMBL28843980 0.81 PTGS2 (0.48) PTPN1CNR2POLBTUBB1PTGS2
SCHEMBL8846521 0.80 PTPN1 (0.69) PTPN1PIM1PTPN2PTPN6CNR2
SCHEMBL13544099 0.80 PTPN1 (0.46) PTPN1PTPN2PTPN6RARBCNR2
SCHEMBL943028 0.79 ALDH1A1 (0.47) PTPN1PIM1PTPN2PTPN6RARB
SCHEMBL29956818 0.79 ALDH1A1 (0.47) PTPN1PIM1PTPN2PTPN6RARB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2021080997-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) 2021-04-29 WO 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 PTPN1 2846/4885PIM1 4700/4885PTPN2 1896/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C PTPN1 2846/4885PIM1 4700/4885PTPN2 1896/4885

“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.