SCHEMBL10244824

SCHEMBL10244824

CC(C)(C)N1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 4/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CNR2 P34972 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL12139771 0.93 HSD17B10 (0.73) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL9611074 0.88 GAA (0.55) HSD17B10ALOX15TSHRLMNAALDH1A1
SCHEMBL10246549 0.84 GAA (0.57) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL18997679 0.83 GAA (0.60) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL26981196 0.82 HSD17B10 (0.91) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL25074354 0.81 GAA (0.48) HSD17B10ALOX15TSHRLMNAALDH1A1
SCHEMBL12139764 0.81 GAA (0.48) HSD17B10ALOX15TSHRLMNAALDH1A1
SCHEMBL12139766 0.81 GAA (0.48) HSD17B10ALOX15TSHRKDM4EALDH1A1
SCHEMBL4969885 0.81 HSD17B10 (0.69) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL14218697 0.81 TSHR (0.69) HSD17B10ALOX15TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-20200165260-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2020-05-28 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 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 (7 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 HSD17B10 3860/4885ALOX15 2447/4885TSHR 608/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HSD17B10 3860/4885ALOX15 2447/4885TSHR 608/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HSD17B10 1639/4885ALOX15 1818/4885TSHR 4039/4885
US-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 HSD17B10 3330/4885ALOX15 2960/4885TSHR 719/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HSD17B10 1971/4885ALOX15 2274/4885TSHR 3524/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 HSD17B10 1717/4885ALOX15 2000/4885TSHR 3579/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 HSD17B10 3886/4885ALOX15 3653/4885TSHR 3422/4885

“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.