SCHEMBL16775715

SCHEMBL16775715

CC(C)c1nccc(N2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
HRH4 Q9H3N8 5/20 0.58
SORD Q00796 10/20 0.50
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PLD1 Q13393 1/20 0.47
CYP2C9 P11712 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45

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
SCHEMBL30834235 1.00 HRH3 (0.59) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL15999349 0.85 HRH4 (0.58) HRH4SORD
SCHEMBL26141101 0.85 HRH4 (0.58) HRH4SORD
SCHEMBL13728841 0.83 HRH4 (0.57) HRH4SORD
SCHEMBL14004731 0.82 HRH4 (0.61) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL12986149 0.81 HRH4 (0.55) HRH4SORDCYP1A2HSD17B10ALDH1A1
SCHEMBL6294658 0.80 HRH4 (0.48) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL6294656 0.80 HRH4 (0.48) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL6976678 0.78 HRH3 (0.65) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL859671 0.78 HRH4 (0.59) HRH3HRH4SORDCYP1A2HSD17B10

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 8 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-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
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 (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 HRH3 2667/4885HRH4 2796/4885SORD 1372/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 2288/4885HRH4 2086/4885SORD 1785/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 2667/4885HRH4 2796/4885SORD 1372/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 2288/4885HRH4 2086/4885SORD 1785/4885

“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.