SCHEMBL1746197

SCHEMBL1746197

Nc1ccc2nc([C@H]3C[C@@H](N4CCCCC4)C3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 7/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 2/20 0.43
HRH3 Q9Y5N1 6/20 0.42
KDM4E B2RXH2 3/20 0.41
GLA P06280 3/20 0.41
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
VDR P11473 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL1743128 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1743131 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1745068 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1744110 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL118822 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1745008 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL118821 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1744109 0.84 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1745050 0.83 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AHRH3
SCHEMBL1745051 0.83 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP claimed
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
EP-1926729-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2007038074-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2007-04-05 WO 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 SMN1; SMN2 3835/4885MAPT 1069/4885NPC1 1388/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 SMN1; SMN2 3835/4885MAPT 1069/4885NPC1 1388/4885

“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.