SCHEMBL12508573

SCHEMBL12508573

O=C(Nc1cccnc1)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
FAAH O00519 9/20 0.45
NAMPT P43490 4/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP2D6 P10635 1/20 0.42
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42

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
SCHEMBL12509388 0.91 ALDH1A1 (0.42) ALDH1A1FAAHNAMPT
SCHEMBL12508570 0.91 FAAH (0.46) ALDH1A1FAAHNAMPTCYP2D6
SCHEMBL25120372 0.91 NAMPT (0.48) ALDH1A1FAAHNAMPT
SCHEMBL12509192 0.89 ALDH1A1 (0.52) ALDH1A1FAAHNAMPTTRPV1CYP2D6
SCHEMBL12508835 0.89 ALDH1A1 (0.51) ALDH1A1FAAH
SCHEMBL12509061 0.88 ALDH1A1 (0.43) ALDH1A1NAMPT
SCHEMBL12509073 0.87 ALDH1A1 (0.51) ALDH1A1FAAHNAMPTTRPV1
SCHEMBL2196108 0.87 FAAH (0.57) FAAHCYP2D6
SCHEMBL12509410 0.87 ALDH1A1 (0.53) ALDH1A1FAAHNAMPT
SCHEMBL2192802 0.86 ALDH1A1 (0.43) ALDH1A1FAAHNAMPTCYP2D6

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 1 patent. 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

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 ALDH1A1 259/4885FAAH 1/4885NAMPT 1212/4885

“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.