SCHEMBL3933852

SCHEMBL3933852

C=CC[C@@H](O)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 7/20 0.49
HTT P42858 1/20 0.49
F13A1 P00488 2/20 0.48
TGM2 P21980 2/20 0.48
TGM1 P22735 2/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
ELANE P08246 2/20 0.46
CYP3A4 P08684 3/20 0.46
F2 P00734 1/20 0.45
ENPP2 Q13822 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
SCHEMBL6017217 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16224997 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12539560 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6749350 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2532572 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3693876 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3929898 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6017274 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL458394 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL457705 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
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
US-20050272751-A1 4-Substituted piperidine derivatives BIOAXONE THERAPEUTIQUE INC. (CA) 2005-12-08 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-20050272751-A1 4-Substituted piperidine derivatives RHOC, PRPH, RHOT2 SMN1; SMN2 51/4885NPC1 1941/4885RAB9A 81/4885

“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.