SCHEMBL4282646

SCHEMBL4282646

O=C(O)C1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.53
SIRT1 Q96EB6 3/20 0.52
NR2E1 Q9Y466 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR5A P47898 1/20 0.49
NISCH Q9Y2I1 1/20 0.49
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
MAPKAPK2 P49137 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
SCHEMBL2309545 0.88 NR2E1 (0.60) SIRT1NR2E1KDM4EDRD5MAPKAPK2
SCHEMBL12660565 0.88 NR2E1 (0.60) SIRT1NR2E1KDM4EDRD5MAPKAPK2
SCHEMBL31078875 0.88 NR2E1 (0.60) SIRT1NR2E1KDM4EDRD5MAPKAPK2
SCHEMBL8592516 0.87 SIRT1 (0.68) RB1SIRT1NR2E1KDM4EHTR5A
SCHEMBL31078487 0.86 CYP2D6 (0.52) NR2E1KDM4EDRD5
SCHEMBL4287532 0.86 CYP2D6 (0.52) NR2E1KDM4EDRD5
Hydrochloric Acid SCHEMBL8595142 0.86 SIRT1 (0.67) RB1SIRT1NR2E1KDM4EHTR5A
SCHEMBL11680918 0.82 SIRT1 (0.58) SIRT1DRD2DRD1DRD5MAPKAPK2
SCHEMBL13011891 0.81 SIRT1 (0.52) RB1SIRT1NR2E1KDM4EHTR5A
SCHEMBL11680201 0.81 KMT2A (0.62) SIRT1KDM4EDRD2MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-6175015-B1 USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, DEPRESSION, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE AND OTHER DISORDERS THAT RESPOND TO DOPAMINERGIC BLOCKADE, AND FOR TREATING SIDE EFFECTS OF NEUROLEPTIC AGENTS NEUROGEN CORPORATION 2001-01-16 US disclosed
EP-0923574-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-06-23 EP disclosed
US-5892041-A NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-04-06 US disclosed
WO-1998055115-A1 CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-12-10 WO disclosed
WO-1998006717-A9 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS 1998-07-23 WO disclosed
WO-1998006717-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-02-19 WO disclosed
US-4057559-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-11-08 US disclosed
US-4009181-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-02-22 US disclosed
US-3868387-A 1,2,3,4-TETRAHYDROCARBAZOLE-2-CARBOXYLIC ACIDS AND THEIR DERIVATIVES HOFFMANN LA ROCHE 1975-02-25 US 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-20080146644-A1 Tricyclic Cytoprotective Compounds HCRTR1, CDR2, MSR1 RB1 1021/4885SIRT1 301/4885NR2E1 90/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 RB1 3631/4885SIRT1 1491/4885NR2E1 911/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 RB1 3631/4885SIRT1 1491/4885NR2E1 911/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 RB1 1021/4885SIRT1 301/4885NR2E1 90/4885

“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.