SCHEMBL2192802

SCHEMBL2192802

O=C(Nc1cnccn1)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
FAAH O00519 4/20 0.41
NAMPT P43490 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PROKR1 Q8TCW9 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL12509268 0.91 FAAH (0.42) ALDH1A1FAAHNAMPTPROKR1NOS3
SCHEMBL12509175 0.89 ALDH1A1 (0.46) ALDH1A1FAAHNAMPTLMNACYP3A4
SCHEMBL12509168 0.88 FAAH (0.43) ALDH1A1FAAHNAMPTMEN1NPC1
SCHEMBL2195603 0.88 FAAH (0.47) ALDH1A1FAAHCYP3A4CYP2D6NOS3
SCHEMBL2196712 0.87 FAAH (0.53) ALDH1A1FAAHMEN1TSHRKMT2A
SCHEMBL2191509 0.87 FAAH (0.41) FAAHNAMPTMEN1NPC1TP53
SCHEMBL12508573 0.86 ALDH1A1 (0.49) ALDH1A1FAAHNAMPTCYP2D6
SCHEMBL12509388 0.86 ALDH1A1 (0.42) ALDH1A1FAAHNAMPTKMT2APROKR1
SCHEMBL2198340 0.86 ALDH1A1 (0.41) ALDH1A1FAAHNAMPTHTR1ACYP3A4
SCHEMBL12509280 0.85 ALDH1A1 (0.46) ALDH1A1FAAHNAMPTLMNACYP3A4

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 5 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 claimed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP claimed
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 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.