SCHEMBL4548376

SCHEMBL4548376

CCOC(=O)/C(C)=C/c1cnn(-c2ccc(OC)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.48
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
OXTR P30559 1/20 0.44
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL10312522 0.89 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL598575 0.76 NPBWR1 (0.55) NPBWR1MCHR1MAPTNPC1RAB9A
SCHEMBL6180207 0.75 MAPT (0.67) PDE4DNPBWR1MCHR1MAPTNPC1
SCHEMBL13225551 0.75 NPC1 (0.53) PDE4DNPBWR1MCHR1MAPTNPC1
SCHEMBL13225552 0.74 NPC1 (0.49) PDE4DNPBWR1MCHR1MAPTNPC1
SCHEMBL2208074 0.74 MAPT (0.54) MAPTMAPK1PKMKDM4EALDH1A1
SCHEMBL2208077 0.74 MAPT (0.54) MAPTMAPK1PKMKDM4EALDH1A1
SCHEMBL1567422 0.74 ALDH1A1 (0.48) PDE4DMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1567420 0.74 ALDH1A1 (0.48) PDE4DMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9363017 0.71 MIF (0.53) MAPTNPC1RAB9APOLBMAPK1

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
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 PDE4D 1269/4885NPBWR1 58/4885MCHR1 402/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 PDE4D 1410/4885NPBWR1 74/4885MCHR1 360/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 PDE4D 1429/4885NPBWR1 68/4885MCHR1 354/4885

“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.