SCHEMBL23242525

SCHEMBL23242525

C=Cc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.46
HTR2A P28223 8/20 0.44
HTR2C P28335 3/20 0.44
PDK2 Q15119 1/20 0.43
DRD3 P35462 3/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMARCA2 P51531 1/20 0.41

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
SCHEMBL23242530 0.93 HRH4 (0.46) HRH4HTR2AHTR2CPDK2DRD3
SCHEMBL23242491 0.87 HRH4 (0.47) HRH4HTR2AHTR2CPDK2DRD3
SCHEMBL23242528 0.84 HTR2A (0.56) HRH4HTR2AHTR2CPDK2DRD3
SCHEMBL5479943 0.79 HRH4 (0.66) HRH4HTR2AHTR2CDRD3CHRM1
SCHEMBL3347247 0.78 HRH4 (0.49) HRH4HTR2CPDK2DRD3CHRM1
SCHEMBL3229794 0.72 DRD2 (0.55) HRH4HTR2AHTR2CDRD3CHRM1
SCHEMBL26123863 0.70 KIT (0.46) LMNASMARCA2SMARCA4PBRM1KIT
SCHEMBL17923084 0.70 MAPT (0.64) PDK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL26124354 0.68 KIT (0.43) HTR2ADRD2LMNASMARCA2SMARCA4
SCHEMBL30546252 0.68 KIT (0.43) HTR2ADRD2LMNASMARCA2SMARCA4

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 5 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
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 HRH4 31/4885HTR2A 1/4885HTR2C 3/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C HRH4 31/4885HTR2A 1/4885HTR2C 3/4885

“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.