SCHEMBL16775752

SCHEMBL16775752

CC(C)c1cccc(N2CC[C@@H](C)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.64
HRH3 Q9Y5N1 1/20 0.49
PDK2 Q15119 1/20 0.42
ACACB O00763 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BPTF Q12830 1/20 0.38
GRM2 Q14416 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
AVPR2 P30518 1/20 0.36
ADAM10 O14672 1/20 0.36
RXRA P19793 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
SCHEMBL12958780 1.00 NOTUM (0.64) NOTUMHRH3PDK2ACACBMEN1
SCHEMBL16775751 1.00 NOTUM (0.64) NOTUMHRH3PDK2ACACBMEN1
SCHEMBL17618324 0.84 NOTUM (0.64) NOTUMHRH3ACACBBPTFGRM2
SCHEMBL12958809 0.84 NOTUM (0.64) NOTUMHRH3ACACBBPTFGRM2
SCHEMBL17618325 0.84 NOTUM (0.64) NOTUMHRH3ACACBBPTFGRM2
SCHEMBL25016596 0.83 NOTUM (0.67) NOTUMHRH3ACACB
SCHEMBL25015825 0.81 NOTUM (0.60) NOTUMHRH3ACACB
SCHEMBL23844239 0.81 NOTUM (0.60) NOTUMHRH3ACACBBPTFGRM2
SCHEMBL25752839 0.80 NOTUM (0.55) NOTUMHRH3ACACBGRM2ALDH1A1
SCHEMBL17618323 0.80 NOTUM (0.59) NOTUMHRH3ACACBBPTF

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 NOTUM 3260/4885HRH3 2288/4885PDK2 400/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOTUM 3345/4885HRH3 2667/4885PDK2 437/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOTUM 3260/4885HRH3 2288/4885PDK2 400/4885

“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.