SCHEMBL3371010

SCHEMBL3371010

C[C@@H](N=C1CCCc2cccnc21)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH1 P35367 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
G6PD P11413 1/20 0.32
CDC25B P30305 1/20 0.32
DUSP3 P51452 1/20 0.32
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL20848093 1.00 GAA (0.38) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL3371011 1.00 GAA (0.38) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL3371008 1.00 GAA (0.38) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL14012246 0.76 L3MBTL1 (0.41) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL8619986 0.72 HPGD (0.49) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL1093334 0.72 HPGD (0.49) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL1093335 0.72 HPGD (0.49) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL29415928 0.72 HPGD (0.49) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL4912110 0.71 TSHR (0.43) GAAL3MBTL1HRH1CHRM2HTR1A
SCHEMBL19224618 0.69 ALDH1A1 (0.42) GAAL3MBTL1HRH1CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487795-B1 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2010-11-03 EP disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US disclosed
US-7135570-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2006-11-14 US disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 GAA 3449/4885L3MBTL1 4592/4885HRH1 662/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 GAA 3449/4885L3MBTL1 4592/4885HRH1 662/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 GAA 3449/4885L3MBTL1 4592/4885HRH1 662/4885

“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.