SCHEMBL5458440

SCHEMBL5458440

Nc1csc(C2CCNCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
AOC3 Q16853 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
BAZ2A Q9UIF9 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K3 Q8IVH8 3/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL17591448 0.86
SCHEMBL1042507 0.78 HPGDS (0.47) HPGDSAOC3MEN1KMT2ABAZ2A
SCHEMBL19850450 0.77 AOC3 (0.55) HPGDSAOC3MEN1KMT2AHRH4
Hydrochloric Acid SCHEMBL17541611 0.76 HPGDS (0.46) HPGDSAOC3MEN1KMT2ABAZ2A
SCHEMBL417132 0.75 AOC3 (0.47) HPGDSAOC3MEN1KMT2ABAZ2A
SCHEMBL10391253 0.74 PLAT (0.46) HPGDSAOC3MEN1KMT2AHRH4
SCHEMBL4262991 0.74 HRH4 (0.50) HPGDSAOC3MEN1KMT2AHRH4
SCHEMBL18652835 0.74 HPGDS (0.44) HPGDSAOC3MEN1KMT2AHRH4
SCHEMBL491234 0.74 HPGDS (0.44) HPGDSAOC3MEN1KMT2AHRH4
SCHEMBL3687239 0.74 HPGDS (0.44) HPGDSAOC3MEN1KMT2AHRH4

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-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 HPGDS 226/4885AOC3 789/4885MEN1 4834/4885

“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.