SCHEMBL8797970

SCHEMBL8797970

Cn1nc(NCCCCN2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.54
▸ HTR2A P28223 4/20 0.50
▸ DRD2 P14416 3/20 0.50
▸ DRD4 P21917 1/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL13532753 0.96 HTR1A (0.52) HTR1AHTR2ADRD2
SCHEMBL13532750 0.88 HTR1A (0.47) HTR1AHTR2ADRD2DRD4SLC22A2
SCHEMBL13532766 0.84 HTR2A (0.60) HTR1AHTR2ADRD2DRD4ADRA1D
SCHEMBL13532755 0.83 PARP1 (0.52) HTR1AHTR2ADRD2DRD4SLC22A2
SCHEMBL13532757 0.83 HTR1A (0.51) HTR1AHTR2ADRD2ADRA1ADRD3
SCHEMBL8797545 0.80 KCNH2 (0.60) HTR1AHTR2ADRD2DRD4HTR7
SCHEMBL8798000 0.80 DRD2 (0.57) HTR1AHTR2ADRD2DRD4HTR7
SCHEMBL8798047 0.78 ADRA1A (0.67) HTR1AHTR2ADRD2DRD4CYP1A2
SCHEMBL13532722 0.78 HTR1A (0.59) HTR1AHTR2ADRD2DRD4SLC22A2
SCHEMBL14762194 0.78 ADRA1A (0.66) HTR1AHTR2ADRD2DRD4CYP3A4

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 10 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-0802915-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 1997-10-29 — — 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
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

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 HTR1A 7/4885HTR2A 5/4885DRD2 242/4885

“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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