SCHEMBL4548490

SCHEMBL4548490

O=C(CCc1ccc2ccccc2c1)NC1=C(OCO)CCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.66
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL10312489 0.86 HCAR2 (0.64) HCAR2HDAC1HDAC8CYP1A2
SCHEMBL4548309 0.81 HCAR2 (0.98) HCAR2
SCHEMBL4548310 0.80 HCAR2 (1.00) HCAR2
SCHEMBL12808568 0.75 HCAR2 (0.60) HCAR2HDAC1HDAC8
SCHEMBL10362477 0.71 HDAC1 (0.77) HCAR2HDAC1HDAC8CYP1A2
SCHEMBL10312490 0.70 HCAR2 (0.53) HCAR2HDAC1
SCHEMBL6172461 0.70 HDAC1 (0.57) HCAR2HDAC1HDAC8CYP1A2
SCHEMBL13781545 0.69 HCAR2 (0.63) HCAR2HDAC1HDAC8CYP1A2
SCHEMBL4548311 0.69 HCAR2 (1.00) HCAR2
SCHEMBL6169879 0.69 ALDH1A1 (0.60) HCAR2HDAC1HDAC8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2/4885HDAC1 1331/4885HDAC8 2019/4885

“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.