SCHEMBL4548412

SCHEMBL4548412

O=C(O)CCc1cnn(-c2ccc(O)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.61
ME2 P23368 5/20 0.46
ME1 P48163 5/20 0.46
ME3 Q16798 5/20 0.46
EGLN1 Q9GZT9 8/20 0.43
CYP2C9 P11712 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
P4HTM Q9NXG6 1/20 0.40

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
SCHEMBL4556144 0.81 HCAR2 (0.50) HCAR2ME2ME1ME3EGLN1
SCHEMBL4548329 0.77 HCAR2 (1.00) HCAR2CYP2C9
SCHEMBL4556142 0.75 HCAR2 (0.77) HCAR2ME2ME1ME3CYP2C9
SCHEMBL4556145 0.74 HCAR2 (0.75) HCAR2ME2ME1ME3CYP2C9
SCHEMBL4548413 0.70 HCAR2 (0.44) HCAR2EGLN1CYP2C9
SCHEMBL12989502 0.69 EGLN1 (0.47) HCAR2ME2ME1ME3EGLN1
SCHEMBL31435193 0.69 HCAR2 (0.39) HCAR2ME2ME1ME3EGLN1
SCHEMBL11899892 0.69 EGLN1 (0.44) EGLN1
SCHEMBL4414182 0.67 MEN1 (0.48) P4HTM
SCHEMBL11900004 0.67 EPHX2 (0.44) HCAR2EGLN1

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 2/4885ME2 1186/4885ME1 1463/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885ME2 1229/4885ME1 1362/4885

“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.