SCHEMBL3510320

SCHEMBL3510320

COc1cc(CC[C@@](C)(N)CO)ccc1OCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
KCNH2 Q12809 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL3511041 1.00 ADRB2 (0.53) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL14294203 0.88 ADRB2 (0.52) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4816785 0.87 S1PR1 (0.51) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4816756 0.87 S1PR1 (0.51) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL7614435 0.86 S1PR1 (0.57) KCNH2TMEM97SIGMAR1
SCHEMBL4814719 0.84 S1PR1 (0.57) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4816712 0.84 S1PR1 (0.57) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4819799 0.83 ADRB2 (0.61) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL14539807 0.82 S1PR1 (0.57)
SCHEMBL9713370 0.81 ADRB2 (0.59) ADRB2DRD2DRD1DRD4DRD3

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-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 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 (1 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-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator PPARG, PPARA, PPARD ADRB2 41/4885DRD2 1029/4885DRD1 1061/4885

“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.