SCHEMBL2196594

SCHEMBL2196594

O=C(Nc1cccnc1)N1CCN(Cc2cccc(O)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 19/20 0.72
CYP2D6 P10635 1/20 0.64
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL13806645 0.87 FAAH (0.76) FAAHCYP2D6CA12CA2CA9
SCHEMBL2193500 0.86 FAAH (0.68) FAAHCYP2D6
SCHEMBL3598540 0.86 FAAH (0.78) FAAHCA12CA2CA9
SCHEMBL2193495 0.85 FAAH (0.67) FAAHCYP2D6
SCHEMBL2192689 0.85 FAAH (0.81) FAAH
SCHEMBL2191990 0.84 FAAH (0.66) FAAHCYP2D6
SCHEMBL3592067 0.83 FAAH (1.00) FAAHCYP2D6
Oxalic Acid SCHEMBL2192129 0.83 FAAH (0.78) FAAH
SCHEMBL3600896 0.82 FAAH (0.76) FAAHCA12CA2CA9
SCHEMBL12509085 0.82 FAAH (0.76) FAAHCYP2D6

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 3 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
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 FAAH 1/4885CYP2D6 3951/4885CA12 2121/4885

“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.