SCHEMBL4556144

SCHEMBL4556144

O=CCCc1cnn(-c2ccc(O)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.50
EGLN1 Q9GZT9 11/20 0.38
ME2 P23368 4/20 0.36
ME1 P48163 4/20 0.36
ME3 Q16798 4/20 0.36
KCNJ1 P48048 1/20 0.35

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
SCHEMBL4556143 0.83 HCAR2 (0.36) HCAR2EGLN1KCNJ1
SCHEMBL4548412 0.81 HCAR2 (0.61) HCAR2EGLN1ME2ME1ME3
SCHEMBL4556145 0.72 HCAR2 (0.75) HCAR2ME2ME1ME3
SCHEMBL12989502 0.69 EGLN1 (0.47) HCAR2EGLN1ME2ME1ME3
SCHEMBL31435193 0.69 HCAR2 (0.39) HCAR2EGLN1ME2ME1ME3
SCHEMBL13680812 0.69 ESR1 (0.42)
SCHEMBL4556142 0.68 HCAR2 (0.77) HCAR2ME2ME1ME3
SCHEMBL4548329 0.68 HCAR2 (1.00) HCAR2
SCHEMBL11900004 0.67 EPHX2 (0.44) HCAR2EGLN1
SCHEMBL24409144 0.67 KCNJ1 (0.50) HCAR2EGLN1KCNJ1

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 3 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885EGLN1 3558/4885ME2 1186/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885EGLN1 3674/4885ME2 1229/4885

“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.