SCHEMBL465756

SCHEMBL465756

Nc1ccnc(CN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.43
HPGD P15428 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PLK4 O00444 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCF1 P14598 1/20 0.40

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
SCHEMBL465831 0.85 ALDH1A1 (0.42) SMN1; SMN2KDM4EPTPN1HRH3ALDH1A1
SCHEMBL3512357 0.81 CXCR4 (0.47) CXCR4HPGDHRH3HSD17B10ALDH1A1
SCHEMBL4553880 0.81 CXCR4 (0.47) CXCR4SMN1; SMN2KDM4EHPGDHRH3
SCHEMBL3113082 0.79 GRM2 (0.47) CXCR4KDM4EHRH3HSD17B10CYP2C9
SCHEMBL4547901 0.77 CXCR4 (0.44) CXCR4SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL6270109 0.77 CXCR4 (0.53) CXCR4KDM4EHPGDHRH3HSD17B10
SCHEMBL16179713 0.76 FAAH (0.40) SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9052942 0.75 CXCR4 (0.62) CXCR4SMN1; SMN2KDM4EMAPTPTPN1
SCHEMBL2236500 0.74 NCF1 (0.54) CXCR4SMN1; SMN2KDM4EHPGDHRH3
SCHEMBL30605619 0.74 NCF1 (0.54) CXCR4SMN1; SMN2KDM4EHPGDHRH3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134514-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 CXCR4 2919/4885SMN1; SMN2 2973/4885KDM4E 1900/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CXCR4 3575/4885SMN1; SMN2 3331/4885KDM4E 1577/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CXCR4 3716/4885SMN1; SMN2 2001/4885KDM4E 564/4885

“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.