SCHEMBL17618307

SCHEMBL17618307

CC(C)c1cnc(OC[C@H](O)CO)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 2/20 0.39
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
APLNR P35414 4/20 0.37
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 7/20 0.34
VDR P11473 1/20 0.30

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
SCHEMBL19365303 1.00 CYP1A2 (0.39) CYP1A2KDM4EAGTR1LMNAMAPK1
SCHEMBL15999364 1.00 CYP1A2 (0.39) CYP1A2KDM4EAGTR1LMNAMAPK1
SCHEMBL16775692 0.87 APLNR (0.37) MAPK1APLNR
SCHEMBL16775718 0.87 APLNR (0.37) MAPK1APLNR
SCHEMBL15130887 0.87 APLNR (0.37) MAPK1APLNR
SCHEMBL16265158 0.85 APLNR (0.35) APLNR
SCHEMBL12248285 0.80 GABRP (0.40) TSHRAPLNR
SCHEMBL14896792 0.79 CYP1A2 (0.45) CYP1A2KDM4EAGTR1LMNAMAPK1
SCHEMBL16785598 0.79 CYP1A2 (0.45) CYP1A2KDM4EAGTR1LMNAMAPK1
SCHEMBL16785513 0.79 CYP1A2 (0.45) CYP1A2KDM4EAGTR1LMNAMAPK1

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 7 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-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-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 (4 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 CYP1A2 3430/4885KDM4E 1109/4885AGTR1 4734/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A2 3430/4885KDM4E 1109/4885AGTR1 4734/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A2 3492/4885KDM4E 950/4885AGTR1 4699/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP1A2 3492/4885KDM4E 950/4885AGTR1 4699/4885

“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.