SCHEMBL763041

SCHEMBL763041

CC(/C=C/c1ccccc1)N(CC1CCNCC1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
GBA1 P04062 1/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 6/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM1 P11229 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CYP2D6 P10635 3/20 0.34

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
SCHEMBL8251590 0.79 TRPM8 (0.39) KDM1AITGB3ITGA2BSLC6A2SLC6A4
SCHEMBL754643 0.76 HDAC6 (0.51) TRPM8
SCHEMBL753773 0.72 HDAC3 (0.47)
SCHEMBL8248952 0.69 KDM1A (0.52) KDM1AITGB3ITGA2BGBA1
Hydrochloric Acid SCHEMBL7801073 0.69 GBA1 (0.42) GBA1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2360872 0.64 KDM1A (0.51) KDM1AGBA1SLC6A2SLC6A4KCNH2
SCHEMBL9789594 0.63 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL763654 0.63 HDAC3 (0.54) KDM1AITGB3ITGA2BGBA1CHRM1
SCHEMBL23872682 0.62 MMP1 (0.33)
SCHEMBL10317122 0.62 NPC1 (0.64) TRPM8CYP2D6

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-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 KDM1A 18/4885ITGB3 2644/4885ITGA2B 2171/4885

“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.