SCHEMBL19128485

SCHEMBL19128485

C=CCOc1nccc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ MGMT P16455 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL17459997 0.78 MAPT (0.42) HPGDSMN1; SMN2MAPTCA12CA1
SCHEMBL3475483 0.70 HPGD (0.42) HPGDSMN1; SMN2MAPTCA2ALDH1A1
SCHEMBL25661 0.69 HPGD (0.45) HPGDCA12CA1CA2CA7
SCHEMBL11699516 0.68 LIG1 (0.46) HPGDMAPTCA12CA1CA9
SCHEMBL3817197 0.68 HPGD (0.45) HPGDSMN1; SMN2MAPTCA12CA1
SCHEMBL28879191 0.68 MAPT (0.54) HPGDMAPTCA12CA1CA9
SCHEMBL11143431 0.67 MAPT (0.39) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL7751128 0.67 MAPT (0.42) HPGDMAPTCA12CA1CA2
SCHEMBL20587874 0.67 MAPT (0.42) HPGDSMN1; SMN2MAPTCA12CA1
SCHEMBL11209909 0.67 MAPT (0.42) HPGDMAPTCA12CA1CA2

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
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
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
EP-3402796-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS Pfizer Inc (US) 2018-11-21 — — EP disclosed
WO-2017122116-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2017-07-20 — — WO 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 HPGD 1136/4885SMN1; SMN2 2449/4885MAPT 871/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 HPGD 1136/4885SMN1; SMN2 2449/4885MAPT 871/4885
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 HPGD 1136/4885SMN1; SMN2 2449/4885MAPT 871/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 HPGD 1136/4885SMN1; SMN2 2449/4885MAPT 871/4885

“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.

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