SCHEMBL1542774

SCHEMBL1542774

COc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)nc3)CC2)ccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.43
DRD3 P35462 11/20 0.43
DRD4 P21917 7/20 0.43
HTR1A P08908 4/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
DRD1 P21728 1/20 0.42
SLC2A1 P11166 1/20 0.41
CCR2 P41597 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL5937227 0.96 DRD2 (0.44) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1543288 0.91 SLC2A1 (0.41) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937412 0.91 DRD3 (0.46) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL5937243 0.89 DRD2 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937249 0.88 DRD3 (0.46) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937261 0.88 DRD2 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937250 0.87 DRD2 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937371 0.84 DRD3 (0.39) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937248 0.83 CCR2 (0.43) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5937378 0.83 CCR2 (0.43) DRD2DRD3DRD4HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US claimed
JP-2011524894-A 2011-09-08 JP claimed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP claimed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO claimed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US claimed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP claimed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO claimed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 DRD2 2161/4885DRD3 1857/4885DRD4 2582/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 DRD2 662/4885DRD3 763/4885DRD4 833/4885

“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.