SCHEMBL8797550

SCHEMBL8797550

O=c1[nH]nc(NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 12/20 0.61
▸ DRD3 P35462 9/20 0.61
▸ ADRA1A P35348 7/20 0.61
▸ HRH4 Q9H3N8 1/20 0.61
▸ HTR7 P34969 5/20 0.56
▸ HTR1A P08908 4/20 0.56
▸ HTR2A P28223 4/20 0.56
▸ HTR2C P28335 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL8798032 0.87 DRD2 (0.60) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL13532761 0.86 DRD2 (0.61) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL8797479 0.81 DRD2 (0.56) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL8797503 0.81 DRD2 (0.61) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL8798171 0.78 DRD2 (0.52) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL8797552 0.78 DRD2 (0.58) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL11405931 0.76 SIGMAR1 (0.69) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL5180132 0.76 DRD2 (1.00) DRD2DRD3ADRA1AHRH4HTR7
SCHEMBL13532764 0.76 PARP1 (0.52) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL11465528 0.76 SIGMAR1 (0.76) DRD2DRD3ADRA1AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 — — EP claimed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 — — US claimed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
EP-0458201-B1 9,9-Bis(perfluoroalkyl)xanthene 9-aryl-9-perfluoroalkylxanthene, monomers and polymers derived therefrom DU PONT (US) 1997-08-27 — — EP disclosed
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 — — EP disclosed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 — — US disclosed
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 — — EP disclosed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 — — WO disclosed
US-5202446-A Used in preperation of polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-13 — — US disclosed
US-5153336-A Chemical intermediates for polyimides; rigid, low dielectric, waterproofing; electronic packaging E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 — — US disclosed
US-5101004-A Packaging electronic apparatus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-31 — — US disclosed
US-5097000-A Polyimides, packaging for electronic equipment E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-17 — — US disclosed
EP-0458201-A2 9,9-Bis(perfluoroalkyl)xanthene 9-aryl-9-perfluoroalkylxanthene, monomers and polymers derived therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 — — EP disclosed
US-5051520-A Chemical intermediates for polymers such as polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-24 — — 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 (1 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A DRD2 242/4885DRD3 432/4885ADRA1A 514/4885

“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.

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