SCHEMBL2194541

SCHEMBL2194541

NC(=O)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
MGLL Q99685 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TEAD1 P28347 1/20 0.46
TEAD3 Q99594 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL30318932 1.00 F10 (0.48) F10KMT2AMEN1DRD2DRD3
SCHEMBL25120379 0.89 NPC1 (0.54) KMT2AMEN1DRD2DRD3MGLL
SCHEMBL13806392 0.88 F10 (0.50) F10KMT2AMEN1DRD2DRD3
SCHEMBL12420768 0.87 MEN1 (0.47) KMT2AMEN1DRD2DRD3MGLL
SCHEMBL12421539 0.86 MEN1 (0.45) KMT2AMEN1DRD2DRD3MGLL
SCHEMBL25120365 0.86 MGLL (0.49) KMT2AMEN1DRD2DRD3MGLL
Hydrochloric Acid SCHEMBL2196700 0.86 MEN1 (0.47) KMT2AMEN1DRD2DRD3MGLL
SCHEMBL25120232 0.85 GPR119 (0.48) KMT2AMEN1DRD2DRD3HCRTR1
SCHEMBL12421153 0.85 ALDH1A1 (0.56) F10KMT2AMEN1DRD2DRD3
SCHEMBL30318930 0.85 GPR119 (0.48) KMT2AMEN1DRD2DRD3HCRTR1

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 disclosed
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
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 F10 1851/4885KMT2A 1156/4885MEN1 4707/4885

“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.