SCHEMBL12508779

SCHEMBL12508779

O=C(Nc1cccnc1)N1CCC(Sc2ccc(OCc3cccc(F)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.52
SGMS2 Q8NHU3 1/20 0.51
F10 P00742 3/20 0.50
LRRK2 Q5S007 1/20 0.48
F2 P00734 1/20 0.47
ELANE P08246 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45

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
SCHEMBL2194934 0.87 FAAH (0.63) FAAHSGMS2F10LRRK2F2
Hydrochloric Acid SCHEMBL2197108 0.86 FAAH (0.62) FAAHSGMS2F10LRRK2F2
SCHEMBL12508794 0.86 FAAH (0.58) FAAHSGMS2F10LRRK2F2
SCHEMBL12509210 0.86 FAAH (0.63) FAAHSGMS2F10LRRK2F2
SCHEMBL12508786 0.86 F10 (0.55) FAAHSGMS2F10LRRK2F2
SCHEMBL12509358 0.84 FAAH (0.53) FAAHSGMS2F10LRRK2F2
SCHEMBL12508494 0.84 FAAH (0.51) FAAHSGMS2F10LRRK2F2
SCHEMBL12509156 0.84 FAAH (0.58) FAAHSGMS2F10LRRK2F2
SCHEMBL12509154 0.84 FAAH (0.58) FAAHSGMS2F10LRRK2MEN1
SCHEMBL12508496 0.83 FAAH (0.51) FAAHSGMS2F10LRRK2F2

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 FAAH 1/4885SGMS2 720/4885F10 1851/4885

“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.