SCHEMBL5705706

SCHEMBL5705706

CC(C)(C)OC(=O)N1CCC(C(O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.48
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
AEBP2 Q6ZN18 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP3A5 P20815 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CNR1 P21554 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 1/20 0.45
DPP4 P27487 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
SCHEMBL13591262 0.86 EED (0.48) STSEEDRBBP4SUZ12EZH2
SCHEMBL2520399 0.83 ALDH1A1 (0.55) STSEEDRBBP4SUZ12EZH2
SCHEMBL13391206 0.83 STS (0.46) STSEEDRBBP4SUZ12EZH2
SCHEMBL12326394 0.82 GPR119 (0.50) STSEEDRBBP4SUZ12EZH2
SCHEMBL23216535 0.81 EED (0.49) STSEEDRBBP4SUZ12EZH2
SCHEMBL29745717 0.81 EED (0.49) STSEEDRBBP4SUZ12EZH2
SCHEMBL28132895 0.81 CNR1 (0.49) STSCYP3A4CYP3A5MEN1KMT2A
SCHEMBL31450899 0.80 MEN1 (0.50) STSEEDRBBP4SUZ12EZH2
SCHEMBL554530 0.80 MEN1 (0.50) STSEEDRBBP4SUZ12EZH2
SCHEMBL553728 0.80 MEN1 (0.50) STSEEDRBBP4SUZ12EZH2

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
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

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 STS 1969/4885EED 4033/4885RBBP4 1900/4885

“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.