SCHEMBL1743845

SCHEMBL1743845

O=C(Nc1ccc2nc([C@H]3C[C@H](N4CCCCC4)C3)sc2c1)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
GBA1 P04062 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL1745345 1.00 LMNA (0.49) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1745871 0.98 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1743382 0.98 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1745898 0.98 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1746016 0.98 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1743153 0.97 LMNA (0.48) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1746276 0.97 LMNA (0.48) LMNAMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL9994885 0.87 RAB9A (0.52) LMNASMN1; SMN2NPC1ALDH1A1HPGD
Cyclopentane SCHEMBL9994808 0.87 RAB9A (0.52) LMNASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL9994799 0.87 RAB9A (0.52) LMNASMN1; SMN2NPC1ALDH1A1HPGD

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 18 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
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP claimed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 EP claimed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 US claimed
US-7576110-B2 Benzothiazole cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-08-18 US claimed
EP-1926729-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007038074-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 US 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 LMNA 4292/4885MAPK1 2499/4885SMN1; SMN2 3835/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 LMNA 4292/4885MAPK1 2499/4885SMN1; 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.