SCHEMBL2433259

SCHEMBL2433259

NC(=O)C1(C(C2CCCCC2)N2CCCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
DPP4 P27487 9/20 0.36
DPP7 Q9UHL4 5/20 0.36
TSHR P16473 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTT P42858 1/20 0.32
FDPS P14324 2/20 0.32
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL2432832 1.00 EPHX1 (0.39) EPHX1DPP4DPP7TSHRKCNH2
SCHEMBL2436300 0.88 CYP3A4 (0.37) EPHX1DPP4DPP7TSHRHTT
SCHEMBL2429011 0.88 CYP3A4 (0.37) EPHX1DPP4DPP7TSHRHTT
SCHEMBL2429692 0.88 KDM4E (0.41) EPHX1DPP4DPP7
SCHEMBL2437542 0.88 KDM4E (0.41) EPHX1DPP4DPP7
SCHEMBL2431957 0.88 CYP3A4 (0.37) EPHX1DPP4DPP7TSHRHTT
SCHEMBL2432266 0.85 KDM4E (0.38) EPHX1DPP4DPP7
SCHEMBL2426781 0.78 SIGMAR1 (0.31)
SCHEMBL2439849 0.78 HRH3 (0.36)
SCHEMBL2430033 0.75 TP53 (0.34)

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-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 EPHX1 2193/4885DPP4 659/4885DPP7 678/4885

“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.