SCHEMBL4385892

SCHEMBL4385892

CC(C)(C)OC(=O)C(C1CCNCC1)N1CCN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
PREP P48147 1/20 0.40
HTT P42858 1/20 0.40
KLK7 P49862 1/20 0.40
HTR2C P28335 1/20 0.39
USP19 O94966 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSK P43235 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL7657426 0.93 L3MBTL1 (0.42) PARP1KLK7MEN1KMT2ANPSR1
SCHEMBL6896041 0.79 CTSL (0.39) SMN1; SMN2NPC1RAB9APARP1CYP2C19
SCHEMBL25426557 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9APARP1CYP2C19
SCHEMBL17736 0.76 MEN1 (0.49) SMN1; SMN2NPC1RAB9APARP1CYP2C19
SCHEMBL16132827 0.76 MEN1 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL28166617 0.76 USP19 (0.51) SMN1; SMN2NPC1RAB9APARP1CYP2C19
SCHEMBL15110164 0.76 MEN1 (0.51) PARP1MEN1KMT2ANPSR1GPR119
SCHEMBL6894705 0.76 HTT (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6893907 0.75 HTR2C (0.40) SMN1; SMN2NPC1RAB9APARP1CYP2C19
SCHEMBL28430741 0.75 USP19 (0.52) SMN1; SMN2NPC1RAB9APARP1CYP2C19

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
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 SMN1; SMN2 4142/4885NPC1 2223/4885RAB9A 1986/4885

“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.