SCHEMBL5705691

SCHEMBL5705691

CC(C)(C)OC(=O)N1CCC(C(O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EED O75530 1/20 0.48
RBBP4 Q09028 1/20 0.48
SUZ12 Q15022 1/20 0.48
EZH2 Q15910 1/20 0.48
AEBP2 Q6ZN18 1/20 0.48
STS P08842 4/20 0.47
GPR119 Q8TDV5 5/20 0.46
DPP4 P27487 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A3 Q01959 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL3032608 0.88 NPC1 (0.43) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL15804379 0.88 NPC1 (0.43) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL2520399 0.86 ALDH1A1 (0.55) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL13476425 0.85 MAPT (0.49) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL17074336 0.83 GPR119 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL17074334 0.83 GPR119 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL15260982 0.83 DPP4 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL15260983 0.83 DPP4 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL7964098 0.82 MAPT (0.51) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL4240647 0.81 ALDH1A1 (0.52) MAPTNPC1ALDH1A1MAPK1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1517894-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-03-30 EP disclosed
WO-2004005255-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 WO 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-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 MAPT 4567/4885NPC1 983/4885ALDH1A1 2980/4885

“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.