SCHEMBL3935701

SCHEMBL3935701

NCC1CCN(C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36
KDM1A O60341 3/20 0.35

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
Hydrochloric Acid SCHEMBL30364479 0.98 NCF1 (0.46) NCF1PLGPLATLMNACHRM2
SCHEMBL1009220 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3TPSAB1TPSD1
SCHEMBL4578231 0.82 GAA (0.36) TPSAB1TPSD1TPSG1GAAKDM1A
SCHEMBL4578235 0.82 ALOX5 (0.44) TPSAB1TPSD1TPSG1GAAKDM1A
SCHEMBL600521 0.82 PLG (0.50) NCF1PLGPLATLMNACHRM2
SCHEMBL23651895 0.80 NCF1 (0.46) NCF1PLGPLATLMNACHRM2
SCHEMBL8280193 0.80 GAA (0.43) CHRM1TPSAB1TPSD1TPSG1GAA
SCHEMBL8065249 0.80 ITGB3 (0.46) TPSAB1TPSD1TPSG1KDM1A
SCHEMBL22882344 0.80 CPN1 (0.50) NCF1PLGPLATLMNACHRM2
SCHEMBL14433549 0.80 TPSAB1 (0.39) TPSAB1TPSD1TPSG1GAAKDM1A

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 6 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
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (2 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 NCF1 1149/4885PLG 597/4885PLAT 976/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NCF1 1292/4885PLG 125/4885PLAT 103/4885

“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.