SCHEMBL4548435

SCHEMBL4548435

COC(=O)CCc1cnc(-n2cc(O[Si](C)(C)C(C)(C)C)cn2)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.34
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32

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
SCHEMBL10312548 0.81 HCAR2 (0.46) HCAR2RPS6KB2CYP11B1CYP11B2
SCHEMBL4548441 0.80 CRBN (0.36)
SCHEMBL4548440 0.77 HDAC3 (0.38)
SCHEMBL4548437 0.75 KCNJ1 (0.42)
SCHEMBL5163659 0.69 ALDH1A1 (0.43)
SCHEMBL15825442 0.69 RPS6KB2 (0.44) RPS6KB2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5163653 0.69 ALDH1A1 (0.42)
SCHEMBL13091417 0.69 RPS6KB2 (0.44) RPS6KB2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5160828 0.68 HRH3 (0.38) HCAR2RPS6KB2CYP11B1CYP11B2
SCHEMBL7535671 0.68 F2RL1 (0.46) CYP11B1CYP11B2

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 2/4885RPS6KB2 4224/4885CYP11B1 417/4885

“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.