SCHEMBL2193702

SCHEMBL2193702

O=C(Nc1cnccn1)N1CCN(Oc2cc(OCCC3CCCCC3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LNPEP Q9UIQ6 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.36
NAMPT P43490 2/20 0.36
GCK P35557 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL2191509 0.93 FAAH (0.41) FAAHCYP3A4CYP2D6MEN1NPC1
SCHEMBL12509093 0.88 FAAH (0.47) FAAHCYP3A4CYP2D6LNPEPNAMPT
SCHEMBL12509094 0.86 FAAH (0.42) FAAHCYP3A4CYP2D6LNPEPMEN1
SCHEMBL12508898 0.84 NAMPT (0.45) FAAHNAMPT
SCHEMBL2192802 0.83 ALDH1A1 (0.43) FAAHCYP3A4CYP2D6MEN1NPC1
SCHEMBL2195603 0.82 FAAH (0.47) FAAHCYP3A4CYP2D6
SCHEMBL2194588 0.81 FAAH (0.43) FAAHCYP3A4TSHRNAMPTCHRNB2
SCHEMBL2196712 0.81 FAAH (0.53) FAAHCYP2D6MEN1TSHRKMT2A
SCHEMBL2197160 0.80 FAAH (0.44) FAAHCYP3A4CYP2D6NAMPTKDM4C
SCHEMBL12509091 0.80 FAAH (0.49) FAAHCYP3A4CYP2D6NAMPT

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 FAAH 1/4885CYP3A4 3722/4885CYP2D6 3951/4885

“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.