SCHEMBL1780586

SCHEMBL1780586

Cn1nc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ P2RX7 Q99572 1/20 0.46
▸ SCD O00767 2/20 0.46
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMO Q99835 5/20 0.43
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1780680 0.92 HCRTR1 (0.47) HCRTR1HCRTR2SCDHTTKMT2A
SCHEMBL1781314 0.87 SCD (0.55) SCDGBA1HSD11B1
SCHEMBL1782559 0.84 HTT (0.53) HCRTR1HCRTR2P2RX7SCDHTT
SCHEMBL1783515 0.83 TP53 (0.46) SCDHTTKMT2ATP53KDM4E
SCHEMBL1923150 0.81 SCD (0.42) HCRTR1HCRTR2SCDTP53
SCHEMBL1783891 0.81 SCD (0.46) HCRTR1HCRTR2P2RX7SCDHTT
SCHEMBL1781823 0.78 HCRTR1 (0.45) HCRTR1HCRTR2P2RX7SCDHTT
SCHEMBL1781671 0.78 SCD (0.42) HCRTR1HCRTR2SCDHTTKMT2A
SCHEMBL1783072 0.78 GPR183 (0.46) P2RX7KDM4ENPSR1
SCHEMBL1923319 0.78 GPR183 (0.47) HCRTR1HCRTR2P2RX7SCDHTT

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 6 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
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

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 HCRTR1 1186/4885HCRTR2 1636/4885P2RX7 2096/4885

“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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