SCHEMBL3577700

SCHEMBL3577700

CC(=O)N1CCc2nc(-c3ccc(OCCCCl)cc3)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GRM5 P41594 2/20 0.48
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 4/20 0.43
DPP9 Q86TI2 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
KMT2A Q03164 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
OGA O60502 1/20 0.39
GCK P35557 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
TLR9 Q9NR96 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
SCHEMBL3582423 0.92 NPC1 (0.43) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3584643 0.90 NPC1 (0.43) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3581380 0.88 HRH3 (0.57) NPC1RAB9AHRH3
SCHEMBL3581201 0.88 NPC1 (0.55) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3586370 0.87 NPC1 (0.52) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3574338 0.87 GRAMD1A (0.50) NPC1RAB9AGCK
SCHEMBL3578989 0.87 NPC1 (0.48) NPC1RAB9ATLR8TLR7DPP4
SCHEMBL3582560 0.85 TLR8 (0.47) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3589282 0.85 NPC1 (0.47) NPC1RAB9AGRM5TLR8TLR7
SCHEMBL3586540 0.84 HRH3 (0.59) HRH3

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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 NPC1 3536/4885RAB9A 3681/4885GRM5 204/4885

“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.