SCHEMBL16775862

SCHEMBL16775862

CC(C)NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2NCC[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36

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
SCHEMBL16776479 0.87 SLC5A1 (0.41) KMORAF1BRAFMEN1KMT2A
SCHEMBL16776472 0.86 CA2 (0.41) CNR2CNR1KMOKDM1ARAF1
SCHEMBL16776478 0.85 SCN9A (0.39) CNR2KMOKDM1AJAK2ADORA2A
SCHEMBL16785537 0.85 SCN9A (0.39) CNR2KMOKDM1AJAK2ADORA2A
SCHEMBL16776419 0.85 BRAF (0.40) CNR2RAF1BRAFMEN1KMT2A
SCHEMBL16775863 0.84 TRPA1 (0.41) CNR2CNR1KDM1ATRPV3ADORA2A
SCHEMBL16775856 0.84 TRPV1 (0.39) CNR2KMOKDM1AMEN1POLB
SCHEMBL16785582 0.84 ADORA2A (0.37) KMOKDM1ARAF1BRAFMEN1
SCHEMBL16776355 0.84 CA2 (0.41) KMOKDM1AJAK2ADORA2AFYN
SCHEMBL16776324 0.83 CHRM4 (0.41) KMOMEN1KMT2ACPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885CNR1 2946/4885KMO 768/4885

“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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