SCHEMBL4990139

SCHEMBL4990139

CNc1nc(-c2ccsc2)cc(N2C[C@@H]3CCCN[C@@H]3C2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.46
HTR3A P46098 1/20 0.43
HTR6 P50406 3/20 0.37
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ROCK1 Q13464 1/20 0.34
DRD2 P14416 2/20 0.33
DPP4 P27487 3/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4990127 1.00 HRH4 (0.46) HRH4HTR3AHTR6ADORA2AADORA1
SCHEMBL604138 0.85 HRH4 (0.62) HRH4HTR3AHTR6ROCK1
Hydrochloric Acid SCHEMBL603875 0.84 HRH4 (0.61) HRH4HTR3AHTR6ROCK1DPP4
SCHEMBL4999115 0.82 HRH4 (0.46) HRH4HTR3AADORA2AADORA1ROCK1
SCHEMBL4999125 0.82 HRH4 (0.46) HRH4HTR3AADORA2AADORA1ROCK1
SCHEMBL4990134 0.72 HTR3A (0.43) HRH4HTR3A
SCHEMBL605819 0.71 HRH4 (0.59) HRH4HTR3AROCK1
SCHEMBL605820 0.71 HRH4 (0.59) HRH4HTR3AROCK1
SCHEMBL605818 0.71 HRH4 (0.59) HRH4HTR3AROCK1
SCHEMBL4999121 0.70 HTR3A (0.42) HRH4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US claimed

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-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 HRH4 1/4885HTR3A 333/4885HTR6 243/4885

“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.