SCHEMBL5455943

SCHEMBL5455943

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)Nc3ccccc3F)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.58
RAB9A P51151 11/20 0.58
ESR2 Q92731 1/20 0.55
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
NR1H2 P55055 1/20 0.49
NAMPT P43490 3/20 0.48
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
PTK2 Q05397 2/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1188521 0.89 ESR2 (0.56) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1189512 0.89 RAB9A (0.59) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1187142 0.88 ESR2 (0.60) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1188540 0.88 ESR2 (0.62) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL5460878 0.87 NPC1 (0.62) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1187942 0.87 ESR2 (0.58) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1188220 0.87 ESR2 (0.52) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1187768 0.87 ESR2 (0.53) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1189027 0.86 ESR2 (0.57) NPC1RAB9AESR2PIK3CAMTOR
SCHEMBL1189134 0.85 RAB9A (0.64) NPC1RAB9AESR2PIK3CAMTOR

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NPC1 1089/4885RAB9A 1528/4885ESR2 3787/4885

“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.