SCHEMBL4548396

SCHEMBL4548396

N#CC1=C(NC(=O)CCc2ccc(-c3ccccc3)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.55
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 1/20 0.46
MMP12 P39900 1/20 0.45
LMNA P02545 1/20 0.44
NAAA Q02083 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43

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
SCHEMBL4548395 0.85 LMNA (0.51) HCAR2POLBRAB9ASMN1; SMN2LMNA
SCHEMBL12808643 0.81 HCAR2 (0.58) HCAR2FFAR1MMP12NAAAMAPT
SCHEMBL4548322 0.81 HCAR2 (0.81) HCAR2
SCHEMBL4548317 0.80 HCAR2 (0.83) HCAR2FFAR1
SCHEMBL10312490 0.76 HCAR2 (0.53) HCAR2FFAR1MMP12NAAAMAPT
SCHEMBL4548327 0.72 HCAR2 (0.48) HCAR2POLBFFAR1MMP12LMNA
SCHEMBL4548312 0.71 HCAR2 (0.77) HCAR2MAPT
SCHEMBL13356363 0.70 MAPT (0.80) RAB9ASMN1; SMN2LMNAMAPTHTT
SCHEMBL7046207 0.69 HDAC1 (0.79) FFAR1MMP12
SCHEMBL1621598 0.69 RAB9A (0.51) POLBRAB9ASMN1; SMN2MAPTHTT

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 8 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-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
EP-1901731-B1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2011-03-02 EP 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
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885POLB 3308/4885RAB9A 2584/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885POLB 3369/4885RAB9A 2712/4885

“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.