SCHEMBL2406499

SCHEMBL2406499

CCC(C(N)=O)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.44
XBP1 P17861 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 4/20 0.41
IDO1 P14902 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
SCHEMBL5198565 0.86 TRPM8 (0.44) HTTALDH1A1XBP1TRPM8BLM
SCHEMBL829965 0.83 PPARA (0.45) HTTALDH1A1ECE1
SCHEMBL9567968 0.83 TRPM8 (0.49) HTTALDH1A1TRPM8ECE1
SCHEMBL9567950 0.82 TRPM8 (0.48) HTTALDH1A1TRPM8BLMECE1
SCHEMBL8298173 0.78 PPARA (0.53)
SCHEMBL5547906 0.77 IDO1 (0.45) HTTALDH1A1XBP1IDO1
SCHEMBL2461628 0.77 TRPM8 (0.41) TRPM8ECE1IDO1
SCHEMBL5549328 0.76 IDO1 (0.44) HTTALDH1A1XBP1IDO1
SCHEMBL8802816 0.76 TSHR (0.50) HTTALDH1A1XBP1BLMTSHR
SCHEMBL8301035 0.75 PPARG (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP claimed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO claimed
US-8389720-B2 Quinolone neuropeptide S receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
US-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists MERCK SHARP & DOHME LLC 2011-09-01 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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists NPSR1, NPY1R, NPY2R HTT 408/4885ALDH1A1 4731/4885XBP1 1122/4885

“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.