SCHEMBL5705674

SCHEMBL5705674

CC(C)(C)OC(=O)N1CCC(C(CC#N)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.49
GPR119 Q8TDV5 12/20 0.48
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 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
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL23212046 0.89 MMP13 (0.53) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL31668220 0.85 DPP4 (0.53) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL21381612 0.85 MMP13 (0.52) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL23211814 0.85 MMP13 (0.52) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL23211854 0.84 MMP13 (0.51) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL5705714 0.84 MMP13 (0.56) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL23212019 0.83 MMP13 (0.49) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL5940502 0.83 MMP13 (0.52) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL21384665 0.82 MMP13 (0.48) MMP13GPR119DPP4MEN1KMT2A
SCHEMBL31668194 0.81 MMP13 (0.48) MMP13GPR119DPP4MEN1KMT2A

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 MMP13 3498/4885GPR119 677/4885DPP4 1670/4885

“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.