SCHEMBL3468972

SCHEMBL3468972

CC(C)N1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 2/20 0.69
MITF O75030 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
NR1H4 Q96RI1 1/20 0.55
MAPT P10636 5/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Dimethylamine SCHEMBL5134860 0.96 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468716 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468820 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468605 0.85 HPGD (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5134861 0.84 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468647 0.83 HPGD (0.73) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL20632452 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL13030801 0.82 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468789 0.82 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL3468792 0.82 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
EP-1999120-B1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-27 EP disclosed
CN-101410385-B Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC 2011-08-24 CN disclosed
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US disclosed
CN-101410385-A Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC (US) 2009-04-15 CN disclosed
EP-1999120-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 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 (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-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 NPC1 3350/4885RAB9A 3540/4885SMN1; SMN2 4655/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 NPC1 3474/4885RAB9A 3387/4885SMN1; SMN2 4563/4885

“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.