SCHEMBL3933073

SCHEMBL3933073

CC(C)(C)OC(=O)N(N)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD11B1 P28845 1/20 0.48
GRIN2B Q13224 3/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
STS P08842 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
GPR119 Q8TDV5 4/20 0.46

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
SCHEMBL16095464 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL3088267 0.88 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL1781222 0.88 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL16095465 0.87 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL9008880 0.86 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL27226866 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL8550410 0.85 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL23249889 0.84 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL20660332 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL4906595 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572913-B2 Inhibitors of Rho kinase; N-Benzyloxycarbonyl-4-[N''-(tert-butyloxycarbonyl)hydrazino]piperidine; 4-{[N''-(tert-butyloxycarbonyl)-N'-(1'-propyl)]hydrazino}piperidine BIOAXONE THERAPEUTIQUE INC. (CA) 2009-08-11 US disclosed
CN-1980929-A 4-substituted piperidine derivatives BIOAXONE THERAPEUTIQUE INC (CA) 2007-06-13 CN disclosed
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 EP disclosed
US-20050272751-A1 4-Substituted piperidine derivatives BIOAXONE THERAPEUTIQUE INC. (CA) 2005-12-08 US disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 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-20050272751-A1 4-Substituted piperidine derivatives RHOC, PRPH, RHOT2 SMN1; SMN2 51/4885CYP2C19 4564/4885NPC1 1941/4885

“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.