SCHEMBL3581201

SCHEMBL3581201

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HCAR2 Q8TDS4 2/20 0.45
HCAR1 Q9BXC0 2/20 0.45
DPP4 P27487 5/20 0.45
DPP8 Q6V1X1 5/20 0.45
DPP9 Q86TI2 5/20 0.45
DPP7 Q9UHL4 5/20 0.45
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.41
PPARD Q03181 2/20 0.40

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 0.88 NPC1 (0.53) NPC1RAB9AHCAR1DPP4DPP8
SCHEMBL3579125 0.85 HRH3 (0.56) NPC1RAB9AHRH3
SCHEMBL3581235 0.85 HRH3 (0.56) NPC1RAB9AHRH3
SCHEMBL3581902 0.85 HRH3 (0.56) NPC1RAB9AHRH3
SCHEMBL3574338 0.84 GRAMD1A (0.50) NPC1RAB9AKDM4EMAPT
SCHEMBL3586370 0.84 NPC1 (0.52) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3578989 0.83 NPC1 (0.48) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3584643 0.81 NPC1 (0.43) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3582423 0.80 NPC1 (0.43) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3585360 0.79 HRH3 (0.55) 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 3 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
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 3681/4885HCAR2 15/4885

“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.