SCHEMBL3586370

SCHEMBL3586370

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
GRM5 P41594 2/20 0.41
DPP4 P27487 4/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
DPP7 Q9UHL4 4/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
PDE4D Q08499 1/20 0.38
FYN P06241 1/20 0.38
TLR9 Q9NR96 1/20 0.37
PIK3CG P48736 1/20 0.37
SPR P35270 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3577700 0.87 NPC1 (0.53) NPC1RAB9AKMT2AGRM5DPP4
SCHEMBL3578230 0.85 HRH3 (0.55)
SCHEMBL3582655 0.85 HRH3 (0.55)
SCHEMBL3581861 0.85 HRH3 (0.55)
SCHEMBL3581201 0.84 NPC1 (0.55) NPC1RAB9AKMT2AGRM5DPP4
SCHEMBL3574338 0.83 GRAMD1A (0.50) NPC1RAB9AKDM4E
SCHEMBL3578989 0.83 NPC1 (0.48) NPC1RAB9AKMT2AHRH2HRH1
SCHEMBL3581973 0.82 HRH3 (0.52)
SCHEMBL3581307 0.80 HRH3 (0.55)
SCHEMBL3584643 0.80 NPC1 (0.43) NPC1RAB9AKMT2AHRH2HRH1

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 5 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

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 3681/4885KMT2A 1334/4885

“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.