SCHEMBL976310

SCHEMBL976310

c1ccc(C2(c3ccccn3)CNCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.37
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
HTR2A P28223 1/20 0.37
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
OPRM1 P35372 5/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
PLD1 Q13393 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 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
SCHEMBL15536462 0.88 SLC6A2 (0.36) SLC6A2LDHALDHBOPRM1SLC6A4
SCHEMBL18153250 0.87 SLC6A2 (0.38) SLC6A2LDHALDHBOPRM1SLC6A4
SCHEMBL977558 0.82 HTR2A (0.47) SLC6A2HTR2AADRA2BADRA2COPRM1
SCHEMBL11018982 0.77 LDHA (0.43) SLC6A2LDHALDHBADRA2BADRA2C
SCHEMBL21835312 0.77 SLC6A2 (0.38) SLC6A2HTR2AADRA2BADRA2COPRM1
SCHEMBL26153822 0.76 SLC6A2 (0.45) SLC6A2ADRA2BADRA2COPRM1SLC6A4
SCHEMBL26153825 0.76 SLC6A2 (0.45) SLC6A2ADRA2BADRA2COPRM1SLC6A4
SCHEMBL16795106 0.76 SLC6A2 (0.45) SLC6A2ADRA2BADRA2COPRM1SLC6A4
SCHEMBL16053222 0.73 METAP2 (0.33) SLC6A2
SCHEMBL17559201 0.71 SLC6A2 (0.36) SLC6A2OPRM1SLC6A4SLC6A3ALDH1A1

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-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US claimed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP claimed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO claimed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SLC6A2 3198/4885LDHA 303/4885LDHB 207/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SLC6A2 3198/4885LDHA 303/4885LDHB 207/4885

“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.