SCHEMBL20719804

SCHEMBL20719804

O=C1CCOC(c2ccc(Br)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MDM2 Q00987 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 6/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
KCNH2 Q12809 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
LIG1 P18858 1/20 0.33
KDM1B Q8NB78 1/20 0.33

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
SCHEMBL18366390 0.82 MAOB (0.43) MAOB
SCHEMBL12220617 0.82 ESR2 (0.50) CYP2C9CYP2C19MEN1NPC1KMT2A
SCHEMBL8676416 0.81 TSHR (0.48) GAAKMT2AMAOBMAOAHSD17B10
SCHEMBL8519316 0.81 TSHR (0.48) GAAKMT2AMAOBMAOAHSD17B10
SCHEMBL4298893 0.81 TSHR (0.48) GAAKMT2AMAOBMAOAHSD17B10
SCHEMBL25177356 0.76 DDB1 (0.40) CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL15348684 0.75 SLC6A2 (0.40) CYP2C9CYP2C19BRD4SLC6A2SLC6A4
SCHEMBL30587569 0.75 HTR2A (0.34) KDM1AMAOB
SCHEMBL12220623 0.75 KDM4E (0.48) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL18366392 0.75 HTR2A (0.34) KDM1AMAOB

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
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 US disclosed
CN-108884093-B Dopamine D3 ligand compound 辉瑞公司 2021-07-09 CN disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 US disclosed
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER, INC. (US) 2020-03-17 US disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 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 (4 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-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 CYP2C9 346/4885CYP2C19 122/4885BRD4 1433/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 CYP2C9 346/4885CYP2C19 122/4885BRD4 1433/4885
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 CYP2C9 346/4885CYP2C19 122/4885BRD4 1433/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 CYP2C9 346/4885CYP2C19 122/4885BRD4 1433/4885

“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.