SCHEMBL3468880

SCHEMBL3468880

CC(C)N1CCN(c2nc3cc(C=O)ccc3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGA O60502 7/20 0.44
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL3468671 0.90 RAB9A (0.49) OGANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3469499 0.81 RAB9A (0.55) OGANPC1RAB9ATSHRNPSR1
SCHEMBL14403537 0.81 NPC1 (0.51) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3468716 0.79 NPC1 (0.56) OGANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL3468828 0.78 DPP4 (0.46) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3468780 0.78 OGA (0.44) OGANPC1RAB9ACYP1A2POLB
SCHEMBL14417581 0.77 RAB9A (0.65) OGANPC1RAB9ATSHRNPSR1
SCHEMBL9960396 0.76 OGA (0.38) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3468859 0.76 USP2 (0.38) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3468795 0.76 RAB9A (0.44) OGANPC1RAB9ACYP1A2POLB

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 19 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-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
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-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 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
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 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
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
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US 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
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 OGA 4819/4885NPC1 3350/4885RAB9A 3540/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 OGA 4677/4885NPC1 3474/4885RAB9A 3387/4885

“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.