SCHEMBL5404798

SCHEMBL5404798

O=C(O)C1C(=O)C(CC2=Cc3ccccc3C(C(=O)O)C2=O)=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.34
EDNRB P24530 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HBB P68871 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SLC25A5 P05141 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
MEN1 O00255 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL31213694 1.00 EDNRA (0.34) EDNRAEDNRBMAPTALOX15HTT
SCHEMBL15104959 0.79 EDNRA (0.36) EDNRAEDNRBMAPTALOX15HTT
SCHEMBL2404932 0.79 EDNRA (0.40) EDNRAEDNRBMAPTALOX15HTT
SCHEMBL27925789 0.78 EDNRA (0.35) EDNRAEDNRBMAPTALOX15HTT
SCHEMBL2400874 0.72 EDNRA (0.37) EDNRAEDNRBALOX15LMNAALDH1A1
SCHEMBL30522434 0.72 EDNRA (0.37) EDNRAEDNRBLMNAALDH1A1SMN1; SMN2
SCHEMBL27970746 0.72 EDNRA (0.38) EDNRAEDNRBMAPTALOX15LMNA
SCHEMBL8797292 0.70 HTR2A (0.43) EDNRAEDNRBLMNAALDH1A1CYP2D6
SCHEMBL129881 0.68 CYP2D6 (0.44) EDNRAEDNRBMAPTALOX15HTT
SCHEMBL31379445 0.68 CYP2D6 (0.44) EDNRAEDNRBMAPTALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
US-7217705-B2 Combination of a CB1 receptor antagonist and of a product which activates dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2007-05-15 US disclosed
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2004-10-21 US disclosed
US-5676831-A ANXIOLYTIC AGENTS, ANTICONVULSANTS RHONE-POULEC RORER S.A. (FR) 1997-10-14 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 (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-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease CNR1, CNR2, GPR18 EDNRA 222/4885EDNRB 294/4885MAPT 2288/4885
US-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE CNR1, CNR2, GPR18 EDNRA 211/4885EDNRB 258/4885MAPT 2080/4885

“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.