SCHEMBL3915316

SCHEMBL3915316

CN(Cc1ccccc1)C1(C(N)c2ccccc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRL1 P41146 4/20 0.45
AOC3 Q16853 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
LMNA P02545 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3244904 0.84 CA2 (0.36) OPRM1OPRL1AOC3TSHRALDH1A1
SCHEMBL3237718 0.82 DPP4 (0.38) OPRM1OPRL1AOC3LMNASLC6A2
SCHEMBL3245048 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3233259 0.79 DPP4 (0.38) OPRM1OPRL1AOC3LMNAADRA2C
SCHEMBL1350777 0.79 DPP4 (0.38) OPRM1OPRL1AOC3LMNAADRA2C
SCHEMBL3236836 0.78 LMNA (0.40) OPRM1OPRL1TSHRLMNASLC6A2
SCHEMBL3232917 0.76 SLC6A2 (0.34) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3237835 0.76 CHRM2 (0.36) AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3243802 0.76 OPRL1 (0.35) OPRL1AOC3LMNASLC6A2SLC6A4
SCHEMBL24434872 0.74 OPRM1 (0.53) OPRM1OPRL1AOC3TSHRALDH1A1

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-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090175788-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2009-07-09 US disclosed
US-20090175788-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2009-07-09 US disclosed
US-20090175788-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2009-07-09 US disclosed
EP-2032512-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2007147838-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147838-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT OPRM1 2201/4885OPRL1 319/4885AOC3 694/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 OPRM1 1531/4885OPRL1 494/4885AOC3 871/4885
US-20090175788-A1 RADIOLABELLED LIGAND FOR THE GLYCINE 1 TRANSPORTER SLC7A1, GLRA1, SLC6A5 OPRM1 400/4885OPRL1 216/4885AOC3 1232/4885

“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.