SCHEMBL8475722

SCHEMBL8475722

CN1CCc2cccnc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
DRD2 P14416 3/20 0.52
DRD1 P21728 3/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.52
DRD5 P21918 2/20 0.52
ADRA1A P35348 3/20 0.45
CHRM2 P08172 2/20 0.45
HTR1A P08908 2/20 0.45
CHRM1 P11229 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45

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
SCHEMBL29391241 1.00 MAOA (0.57) MAOAMAOBDRD2DRD1DRD3
SCHEMBL20159084 0.89 MAOA (0.50) MAOAMAOBDRD2DRD1DRD3
SCHEMBL6127935 0.85 MAOA (0.57) MAOAMAOBDRD2DRD1DRD3
SCHEMBL29391680 0.85 MAOA (0.57) MAOAMAOBDRD2DRD1DRD3
SCHEMBL171403 0.84 MAOA (0.43) MAOAMAOBDRD2DRD1DRD3
SCHEMBL20821673 0.80 DRD2 (0.40) MAOAMAOBDRD2DRD1DRD3
SCHEMBL21710239 0.79 MAOA (0.48) MAOAMAOBDRD2DRD1DRD3
SCHEMBL8201245 0.78 GRIN2D (0.41) MAOAMAOBDRD2DRD3DRD4
SCHEMBL18629964 0.78 GRIN2D (0.44) MAOAMAOBDRD2DRD3DRD4
SCHEMBL10360436 0.77 HRH1 (0.42) MAOAMAOBKCNH2HRH1GRIN2D

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US disclosed
WO-2024036254-A2 SYNTHETIC PROCESSES AND INTERMEDIATES FOR PREPARING THERAPEUTIC AZAKETOLIDES ZIKANI THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
WO-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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 (7 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A MAOA 2611/4885MAOB 2303/4885DRD2 4665/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 MAOA 4265/4885MAOB 4489/4885DRD2 4565/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A MAOA 601/4885MAOB 320/4885DRD2 469/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA MAOA 556/4885MAOB 539/4885DRD2 3255/4885
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes DPP4, DPP3, DPP7 MAOA 1504/4885MAOB 1586/4885DRD2 547/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B MAOA 769/4885MAOB 879/4885DRD2 834/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS MAOA 4855/4885MAOB 4814/4885DRD2 3526/4885

“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.