SCHEMBL4033643

SCHEMBL4033643

N#CCN1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
HTR1A P08908 3/20 0.47
HTR7 P34969 3/20 0.47
DRD3 P35462 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CARM1 Q86X55 1/20 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
SCHEMBL30574999 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL9676474 0.86 ALDH1A1 (0.41) ALDH1A1HTR1AHTR7DRD3HTR2A
SCHEMBL3450752 0.81 KDM4E (0.49) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL30443592 0.81 KDM4E (0.49) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL13754592 0.79 MAOA (0.48) ALDH1A1KDM4EMAOAMAOBHDAC3
SCHEMBL24122123 0.79 KDM4E (0.53) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL4124891 0.78 CTSS (0.53) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL19823077 0.78 KDM4E (0.56) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL19677028 0.76 KDM4E (0.54) ALDH1A1KDM4EMAOAMAOBHTR1A
SCHEMBL4116702 0.76 LMNA (0.48) ALDH1A1KDM4EHTR1AHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
EP-1611104-B1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-07-01 EP disclosed
EP-1603884-A4 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-28 EP disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-1996020179-A1 PIPERAZINE-2,5-DIONE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE XENOVA LIMITED (GB) 1996-07-04 WO disclosed
US-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 US disclosed
EP-0238753-B1 N-SUBSTITUTED CONDENSED POLYMETHYLENE IMINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-01-15 EP disclosed
US-4959374-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, GLAUCOMA, HYPERGLYCEMIC AGENTS, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1990-09-25 US disclosed
US-4863946-A HYPOGLYCEMIC AND HYPOTENSIVE AGENTS BEECHAM GROUP PLC (GB) 1989-09-05 US disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 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 (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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 ALDH1A1 1689/4885KDM4E 4268/4885MAOA 1099/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 ALDH1A1 1689/4885KDM4E 4268/4885MAOA 1099/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ALDH1A1 3771/4885KDM4E 4818/4885MAOA 2381/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ALDH1A1 3771/4885KDM4E 4818/4885MAOA 2381/4885

“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.