SCHEMBL23242516

SCHEMBL23242516

COC(=O)C(C)(C)CN1CCN(C2=Nc3ccccc3Cc3cc(F)ccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.64
HRH1 P35367 4/20 0.64
HTR2C P28335 8/20 0.57
MAPK1 P28482 1/20 0.52
HRH4 Q9H3N8 1/20 0.45
KCNH2 Q12809 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
SCHEMBL31208379 1.00 HTR2A (0.64) HTR2AHRH1HTR2CMAPK1HRH4
SCHEMBL23242500 0.90 HTR2A (0.80) HTR2AHRH1HTR2CMAPK1HRH4
SCHEMBL23242517 0.90 HTR2A (0.79) HTR2AHRH1HTR2CMAPK1HRH4
SCHEMBL23242518 0.83 HTR2C (0.81) HTR2AHRH1HTR2CMAPK1HRH4
SCHEMBL23242562 0.80 HTR2A (0.81) HTR2AHRH1HTR2CHRH4
SCHEMBL23242592 0.79 HTR2A (0.80) HTR2AHRH1HTR2C
SCHEMBL23242553 0.78 HTR2A (1.00) HTR2AHRH1HTR2CHRH4
SCHEMBL23298956 0.77 HTR2A (0.53) HTR2AHRH1HTR2CMAPK1HRH4
SCHEMBL23242523 0.77 HTR2A (0.82) HTR2AHRH1HTR2C
SCHEMBL23242599 0.77 HTR2A (0.82) HTR2AHRH1HTR2C

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
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
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 HTR2A 1/4885HRH1 30/4885HTR2C 3/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C HTR2A 1/4885HRH1 30/4885HTR2C 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.