SCHEMBL8797545

SCHEMBL8797545

Cn1nc(NCCCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.60
▸ DRD2 P14416 4/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ HTR1A P08908 3/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ HTR7 P34969 3/20 0.54
▸ HTR6 P50406 3/20 0.54

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
SCHEMBL8798000 0.89 DRD2 (0.57) DRD2DRD4HTR1AHTR2AHTR7
SCHEMBL13532766 0.89 HTR2A (0.60) KCNH2DRD2DRD4HTR1AHTR2A
SCHEMBL8797503 0.87 DRD2 (0.61) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8797552 0.84 DRD2 (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8797970 0.80 HTR1A (0.54) KCNH2DRD2DRD4HTR1AHTR2A
SCHEMBL13532744 0.80 KCNH2 (0.62) KCNH2DRD2DRD4HTR1AHTR2A
SCHEMBL8797848 0.79 HTR7 (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7464063 0.78 POLB (0.45) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7472167 0.78 POLB (0.45) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7468722 0.78 POLB (0.45) DRD2HTR1AHTR2AHTR7HTR6

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 8 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
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 — — EP claimed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 — — WO 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-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

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 KCNH2 3934/4885DRD2 242/4885DRD4 301/4885

“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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