SCHEMBL852827

SCHEMBL852827

Cc1ccc2c(n1)OCCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
MAP4K1 Q92918 13/20 0.32
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31

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
SCHEMBL24046845 0.81 GRM5 (0.33) GRM5GAACCR1RAB9ACCR5
SCHEMBL22048899 0.78 GRM5 (0.51) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL382392 0.78 GRM5 (0.51) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL20870315 0.77 GRM5 (0.48) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL18237835 0.77 GRM5 (0.48) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL12415835 0.77 GRM5 (0.45) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL2669705 0.76 FABP6 (0.42) GRM5
SCHEMBL21382705 0.74 GRM5 (0.62) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL14476027 0.74 GRM5 (0.48) GRM5ALDH1A1GAAHSD17B10MAPT
SCHEMBL30947103 0.74 GRM5 (0.62) GRM5ALDH1A1GAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-3402777-A1 OXAZOLIDINONES AS TARO INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-11-21 EP disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2017106138-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH GRM5 1799/4885ALDH1A1 312/4885GAA 220/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885ALDH1A1 2151/4885GAA 36/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GRM5 887/4885ALDH1A1 3839/4885GAA 15/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 GRM5 446/4885ALDH1A1 2260/4885GAA 2947/4885

“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.