SCHEMBL10312490

SCHEMBL10312490

O=COC1=C(NC(=O)CCc2ccc(-c3ccccc3)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.53
FFAR1 O14842 1/20 0.43
LTB4R Q15722 1/20 0.43
HDAC2 Q92769 2/20 0.43
MMP12 P39900 1/20 0.43
HDAC1 Q13547 2/20 0.42
NAAA Q02083 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ROCK2 O75116 1/20 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
SCHEMBL10312489 0.84 HCAR2 (0.64) HCAR2HDAC1
SCHEMBL12808643 0.79 HCAR2 (0.58) HCAR2FFAR1LTB4RMMP12NAAA
SCHEMBL4548322 0.79 HCAR2 (0.81) HCAR2
SCHEMBL4548317 0.78 HCAR2 (0.83) HCAR2FFAR1
SCHEMBL4548396 0.76 HCAR2 (0.55) HCAR2FFAR1MMP12NAAAMAPT
SCHEMBL4548327 0.70 HCAR2 (0.48) HCAR2FFAR1MMP12NAAAROCK2
SCHEMBL7046207 0.70 HDAC1 (0.79) FFAR1HDAC2MMP12HDAC1
SCHEMBL4548490 0.70 HCAR2 (0.66) HCAR2HDAC1
SCHEMBL4548312 0.69 HCAR2 (0.77) HCAR2MAPT
SCHEMBL13356363 0.68 MAPT (0.80) HDAC2HDAC1MAPTHTTROCK2

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 1 patent. 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

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885FFAR1 3/4885LTB4R 81/4885

“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.