SCHEMBL2191509

SCHEMBL2191509

O=C(Nc1cnccn1)N1CCN(Oc2ccnc(OCCC3CCCCC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
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
NAMPT P43490 2/20 0.36
ACACB O00763 1/20 0.36
GCK P35557 2/20 0.35
DYRK1A Q13627 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 2/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2193702 0.93 FAAH (0.42) FAAHCYP3A4CYP2D6MEN1NPC1
SCHEMBL12508898 0.88 NAMPT (0.45) FAAHNAMPTACACBCYP2C9
SCHEMBL2192802 0.87 ALDH1A1 (0.43) FAAHCYP3A4CYP2D6MEN1NPC1
SCHEMBL12509093 0.84 FAAH (0.47) FAAHCYP3A4CYP2D6NAMPTCYP2C9
SCHEMBL2196712 0.84 FAAH (0.53) FAAHCYP2D6MEN1TSHRKMT2A
SCHEMBL12509094 0.82 FAAH (0.42) FAAHCYP3A4CYP2D6MEN1NPC1
SCHEMBL2194588 0.80 FAAH (0.43) FAAHCYP3A4TSHRNAMPTLMNA
SCHEMBL12509175 0.80 ALDH1A1 (0.46) FAAHCYP3A4CYP2D6NAMPTLMNA
SCHEMBL2195603 0.78 FAAH (0.47) FAAHCYP3A4CYP2D6NOS1NOS2
SCHEMBL12509408 0.78 FAAH (0.42) FAAHCYP3A4CYP2D6NAMPTGCK

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.