SCHEMBL1745288

SCHEMBL1745288

C[C@H]1CCCN1[C@H]1C[C@@H](c2nc3ccc(Br)cc3s2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APP P05067 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4495645 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743120 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743828 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL4892106 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1745287 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1745349 1.00 RAB9A (0.45) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743282 0.97 RAB9A (0.47) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743391 0.97 RAB9A (0.47) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743281 0.97 RAB9A (0.47) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1743389 0.97 RAB9A (0.47) RAB9ANPC1MAPTHTTALDH1A1

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 RAB9A 2543/4885NPC1 1388/4885MAPT 1069/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 RAB9A 2543/4885NPC1 1388/4885MAPT 1069/4885

“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.