SCHEMBL10219263

SCHEMBL10219263

CC1CN(c2cnc3cc(Cl)ccc3n2)CC(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.61
PDE10A Q9Y233 2/20 0.48
PTPN11 Q06124 4/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIK3CA P42336 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
SMO Q99835 1/20 0.38
TRPC3 Q13507 1/20 0.38

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
SCHEMBL10271537 0.85 PDE10A (0.44) HRH4PDE10APTPN11PIK3CAHCRTR1
SCHEMBL30345513 0.84 MEN1 (0.43) HRH4NPC1MAPTRAB9ANPSR1
SCHEMBL14143557 0.84 HRH4 (0.42) HRH4PDE10APTPN11PIK3CAHCRTR1
SCHEMBL23744193 0.84 MEN1 (0.43) HRH4NPC1MAPTRAB9ANPSR1
SCHEMBL30345676 0.84 MEN1 (0.43) HRH4NPC1MAPTRAB9ANPSR1
SCHEMBL23744192 0.84 MEN1 (0.43) HRH4NPC1MAPTRAB9ANPSR1
Hydrochloric Acid SCHEMBL30073589 0.83 HRH4 (0.43) HRH4NPC1MAPTRAB9ANPSR1
Hydrochloric Acid SCHEMBL23728072 0.83 HRH4 (0.43) HRH4NPC1MAPTRAB9ANPSR1
SCHEMBL23744761 0.82 ALDH1A1 (0.48) HRH4KDM4ENPC1MAPTRAB9A
SCHEMBL23744762 0.82 ALDH1A1 (0.48) HRH4KDM4ENPC1MAPTRAB9A

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG HRH4 464/4885PDE10A 2133/4885PTPN11 443/4885

“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.