SCHEMBL17618320

SCHEMBL17618320

CC(C)c1cccc(-n2nncc2CN)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
TSHR P16473 1/20 0.40
RXRA P19793 7/20 0.39
GRIN1 Q05586 7/20 0.39
GRIN2B Q13224 7/20 0.39
CTSK P43235 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
PLK1 P53350 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ESRRA P11474 1/20 0.36
FLT3 P36888 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL16785588 0.81 HSD11B1 (0.57) HSD11B1TSHR
SCHEMBL16775740 0.79 NPBWR1 (0.42) RXRAGRIN1GRIN2BCTSKNPBWR1
SCHEMBL20632438 0.77 HSD11B1 (0.40) HSD11B1TSHRFLT3
SCHEMBL16775739 0.73 GFER (0.43) HSD11B1NPBWR1MCHR1
SCHEMBL16617705 0.73 TRPV1 (0.50)
SCHEMBL17099712 0.69 TSHR (0.43) TSHRRXRAGRIN1GRIN2BCTSK
SCHEMBL28456093 0.69 ESRRA (0.43) TSHRRXRAGRIN1GRIN2BCTSK
SCHEMBL19365355 0.69 RXRA (0.67) RXRAGRIN1GRIN2BESRRA
SCHEMBL10022345 0.67 ALDH1A1 (0.46) TSHRRXRAGRIN1GRIN2BCTSK
SCHEMBL1012991 0.67 POLB (0.56) RXRAGRIN1GRIN2BCTSKNPBWR1

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
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HSD11B1 3741/4885TSHR 2703/4885RXRA 3422/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HSD11B1 3528/4885TSHR 3064/4885RXRA 3690/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HSD11B1 3528/4885TSHR 3064/4885RXRA 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.