SCHEMBL1781932

SCHEMBL1781932

Cn1c(=O)c(N2CCN(c3ccccc3C(F)(F)F)CC2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ HTR1A P08908 8/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ ADRA1D P25100 5/20 0.39
▸ ADRA1A P35348 5/20 0.39
▸ ADRA1B P35368 5/20 0.39
▸ RBP4 P02753 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ TTR P02766 1/20 0.37

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
SCHEMBL1781911 0.86 ALDH1A1 (0.47) HSD11B1
SCHEMBL1782074 0.84 SCD (0.47) —
SCHEMBL1923577 0.83 TNKS (0.45) HSD11B1
SCHEMBL1784386 0.81 HTR7 (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL1781671 0.77 SCD (0.42) GRM2HTR2ARBP4HSD11B1
SCHEMBL1784809 0.76 ALDH1A1 (0.47) HSD11B1
SCHEMBL1781966 0.73 SCD (0.54) —
SCHEMBL1784632 0.73 SCD (0.54) —
SCHEMBL1923155 0.73 HCRTR1 (0.41) —
SCHEMBL1781011 0.72 SCD (0.59) RBP4TTR

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-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 — — US disclosed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS DRD4 750/4885GRM2 2887/4885HTR1A 980/4885

“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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