SCHEMBL4548424

SCHEMBL4548424

COC(=O)C1=C(NC(=O)CCc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cn3)no2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 19/20 0.43
CYP2C9 P11712 2/20 0.36
CYP2C8 P10632 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL10312540 0.85 HCAR2 (0.45) HCAR2CYP2C9CYP2C8TSHR
SCHEMBL4548365 0.78 HCAR2 (0.53) HCAR2
SCHEMBL4548410 0.78 HCAR2 (0.59) HCAR2CYP2C9TSHR
SCHEMBL4548422 0.77 SMN1; SMN2 (0.35)
SCHEMBL4548330 0.75 HCAR2 (0.69) HCAR2CYP2C9CYP2C8
SCHEMBL4548371 0.72 CYP2C9 (0.62) HCAR2CYP2C9CYP2C8TSHR
SCHEMBL4548408 0.71 HCAR2 (0.81) HCAR2CYP2C9
SCHEMBL4548409 0.70 HCAR2 (0.64) HCAR2CYP2C9TSHR
SCHEMBL10312506 0.70 HCAR2 (0.54) HCAR2
SCHEMBL13920756 0.69 HCAR2 (0.53) HCAR2

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 2/4885CYP2C9 1081/4885CYP2C8 1334/4885

“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.