SCHEMBL16775740

SCHEMBL16775740

CC(C)c1cccc(-n2nccc2CN)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
RXRA P19793 6/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
CTSK P43235 2/20 0.39
PLK1 P53350 1/20 0.36
NOTUM Q6P988 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ESRRA P11474 1/20 0.35
KIF11 P52732 2/20 0.35
POLB P06746 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL1012991 0.81 POLB (0.56) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL17618320 0.79 HSD11B1 (0.40) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL16617705 0.75 TRPV1 (0.50)
SCHEMBL23082938 0.75 NPBWR1 (0.41) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL15686706 0.72 RXRA (0.43) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL4872919 0.68 MAPT (0.45) NOTUMPOLB
SCHEMBL9888714 0.68 RXRA (0.47) RXRAGRIN1GRIN2BNOTUMESRRA
SCHEMBL28456093 0.68 ESRRA (0.43) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL15556314 0.68 CTSK (0.40) NPBWR1MCHR1RXRAGRIN1GRIN2B
SCHEMBL19365355 0.68 RXRA (0.67) RXRAGRIN1GRIN2BNOTUMESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 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 (3 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 NPBWR1 2814/4885MCHR1 4256/4885RXRA 3690/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPBWR1 2536/4885MCHR1 4022/4885RXRA 3422/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPBWR1 2814/4885MCHR1 4256/4885RXRA 3690/4885

“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.