SCHEMBL4555815

SCHEMBL4555815

CCCNCCCNC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.63
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
EPHX1 P07099 6/20 0.43
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL18544070 0.96 PAOX (0.64) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL22777259 0.93 PAOX (0.67) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL18544069 0.91 PAOX (0.59) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL3483791 0.88 CA3 (0.50) PAOXCA3CA5ACA5BCA12
SCHEMBL28825682 0.86 PAOX (0.57) PAOXEPHX1MEN1KMT2AALDH1A1
SCHEMBL22771106 0.86 PAOX (0.53) PAOXDRD2DRD4DRD3ALDH1A1
SCHEMBL4774203 0.86 PAOX (0.50) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL19013345 0.86 PAOX (0.50) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL18338812 0.85 CA3 (0.54) PAOXEPHX1CA3CA5ACA5B
SCHEMBL23069642 0.83 CA12 (0.50) PAOXDRD2DRD4DRD3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-20 US disclosed
EP-4313161-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20230338571-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-17 US disclosed
US-11654199-B2 Thienoazepine immunoconjugates, and uses thereof BOLT BIOTHERAPEUTICS, INC. (US) 2023-05-23 US disclosed
US-20210128744-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2021-05-06 US disclosed
WO-2021081407-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2021-04-29 WO disclosed
WO-2021081402-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2021-04-29 WO disclosed
WO-2009004164-A2 DIAZENIUMDIOLATE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-01-08 WO disclosed
CN-1210264-C 1,3-dialkyl-2-imidazolinones and its prepn. MITSUI CHEMICALS INC (JP) 2005-07-13 CN disclosed
CN-1256268-A 1,3-dialkyl-2-imidazolinones and its prepn. MITSUI CHEMICALS INC (JP) 2000-06-14 CN 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 (5 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-20230338571-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF ICOS, CYP3A5, TPH1 PAOX 3864/4885DRD2 93/4885DRD4 128/4885
US-11654199-B2 Thienoazepine immunoconjugates, and uses thereof ICOS, CYP3A5, TPH1 PAOX 3864/4885DRD2 93/4885DRD4 128/4885
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF AADAC, BRD4, IDO2 PAOX 4091/4885DRD2 491/4885DRD4 694/4885
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF HTR3D, PNMT, HTR3B PAOX 2700/4885DRD2 348/4885DRD4 848/4885
US-20210128744-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF ICOS, CYP3A5, TPH1 PAOX 3864/4885DRD2 93/4885DRD4 128/4885

“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.