SCHEMBL1745282

SCHEMBL1745282

OC1CC(c2nc3cc(Cl)ccc3s2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PPARA Q07869 6/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ACLY P53396 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 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
SCHEMBL1745285 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL29347034 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL30470822 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL24364965 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL30469792 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL24365159 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL1744252 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
SCHEMBL1745406 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
Hydrochloric Acid SCHEMBL30666174 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NPSR1LOXL2
Hydrochloric Acid SCHEMBL30666181 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NPSR1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592467-B2 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. (US) 2013-11-26 US disclosed
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP disclosed
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP disclosed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 EP disclosed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 US disclosed
US-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-12-31 US disclosed
US-7576110-B2 Benzothiazole cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-08-18 US disclosed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 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 (2 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-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES HRH2, HRH4, HRH1 NPC1 1388/4885RAB9A 2543/4885SMN1; SMN2 3835/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 NPC1 1388/4885RAB9A 2543/4885SMN1; SMN2 3835/4885

“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.