SCHEMBL163248

SCHEMBL163248

COc1cccc2c1CCC2N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
CYP19A1 P11511 1/20 0.52
HSD11B1 P28845 1/20 0.52
HTR1A P08908 7/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
DRD4 P21917 2/20 0.50
HTR5A P47898 2/20 0.50
KMT2A Q03164 2/20 0.50
ADRA1A P35348 2/20 0.50
TSHR P16473 1/20 0.50
ADRA2A P08913 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP11B2 P19099 1/20 0.48

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
SCHEMBL26962713 1.00 ACHE (0.58) ACHEDRD2DRD3CYP19A1HSD11B1
SCHEMBL26962571 1.00 ACHE (0.58) ACHEDRD2DRD3CYP19A1HSD11B1
Hydrochloric Acid SCHEMBL31186917 0.98 ACHE (0.61) ACHEDRD2DRD3CYP19A1HSD11B1
Hydrochloric Acid SCHEMBL31673932 0.98 ACHE (0.61) ACHEDRD2DRD3CYP19A1HSD11B1
Hydrochloric Acid SCHEMBL26962668 0.98 ACHE (0.61) ACHEDRD2DRD3CYP19A1HSD11B1
SCHEMBL265136 0.90 CA1 (0.58) ACHEDRD2DRD3CYP19A1HSD11B1
SCHEMBL10602964 0.90 CA1 (0.58) ACHEDRD2DRD3CYP19A1HSD11B1
SCHEMBL1565397 0.90 CA1 (0.58) ACHEDRD2DRD3CYP19A1HSD11B1
Hydrochloric Acid SCHEMBL10358027 0.88 CA1 (0.57) ACHEDRD2DRD3CYP19A1HSD11B1
Hydrochloric Acid SCHEMBL18129761 0.88 CA1 (0.57) ACHEDRD2DRD3CYP19A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
EP-0842161-B1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-18 EP disclosed
WO-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO disclosed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO disclosed
EP-1213285-A2 4,5-dipheny-oxazole derivatives and their use as platelet aggregation inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-6300344-B1 FOR THERAPEUTIC AND/OR PROPHYLACTIC TREATMENT OF ARTERIAL OBSTRUCTION, CEREBROVASCULAR DISEASE, HEPATIC CIRRHOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASE, RESTENOSIS AFTER PERCUTANEOUS TRANSLUMINAL CORONARY ANGIOPLASTY, HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
US-5972965-A USEFUL FOR INHIBITION OF PLATELET AGGREGATION, VASODILATION, ANTIHYPERTENSIVE ACTIVITY AND PROSTAGLANDIN AGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed
WO-1997003973-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (2 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-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 ACHE 2769/4885DRD2 1530/4885DRD3 1119/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ACHE 13/4885DRD2 4826/4885DRD3 4771/4885

“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.