SCHEMBL1743048

SCHEMBL1743048

O=C(Nc1ccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)cc1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.57
RAB9A P51151 11/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MDM2 Q00987 1/20 0.49
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 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
SCHEMBL1744595 0.96 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMDM2
SCHEMBL1743033 0.95 PTPN1 (0.55) NPC1RAB9AMEN1KMT2AMDM2
SCHEMBL1743158 0.87 NPC1 (0.58) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL1742303 0.87 NPC1 (0.60) NPC1RAB9AMEN1KMT2A
SCHEMBL1742397 0.84 NPC1 (0.57) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL3043622 0.79 HRH3 (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL1743326 0.76 NPC1 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13648900 0.76 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1744279 0.76 NPC1 (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1744217 0.75 SCD (0.54) NPC1RAB9AMEN1KMT2ATP53

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-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP claimed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 NPC1 2646/4885RAB9A 4607/4885MEN1 862/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 NPC1 2646/4885RAB9A 4607/4885MEN1 862/4885

“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.