SCHEMBL2195452

SCHEMBL2195452

N#Cc1ccnc(OCCC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
MGLL Q99685 1/20 0.38
HPGD P15428 2/20 0.38
CYP2D6 P10635 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TSHR P16473 1/20 0.37
MCHR1 Q99705 1/20 0.37
TGFBR1 P36897 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL447842 0.84 CTSS (0.48) CTSSCTSLCTSKMGLL
SCHEMBL22637601 0.79 SLC6A2 (0.46) MGLLCYP2D6DPP4DPP8DPP9
SCHEMBL2192991 0.79 HSD11B1 (0.54) NFE2L2CTSSCTSLCTSKHPGD
SCHEMBL16453456 0.78 NPC1 (0.50) NFE2L2HPGDTSHRMCHR1TGFBR1
SCHEMBL444894 0.78 SLC6A4 (0.48) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL1626586 0.77 HRH4 (0.43) CTSSCTSLCTSKMGLL
SCHEMBL16453522 0.77 MEN1 (0.48) NFE2L2HPGDTSHRMCHR1LOX
SCHEMBL29324499 0.77 LOX (0.56) LOXLOXL2
SCHEMBL16453526 0.76 LOX (0.46) NFE2L2HPGDTSHRMCHR1TGFBR1
SCHEMBL16450598 0.76 NFE2L2 (0.43) NFE2L2HPGDCYP2D6TSHRMCHR1

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NFE2L2 1770/4885CTSS 718/4885CTSL 2014/4885

“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.