SCHEMBL1742250

SCHEMBL1742250

CCCN1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.53
SOAT1 P35610 2/20 0.53
KCNH2 Q12809 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 1/20 0.49
DRD4 P21917 2/20 0.48
KMT2A Q03164 1/20 0.48
GRM2 Q14416 1/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
MGLL Q99685 1/20 0.46
SMO Q99835 1/20 0.46
LMNA P02545 1/20 0.45
STAT3 P40763 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL12168054 0.88 DGAT1 (0.51) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL12159841 0.87 DGAT1 (0.50) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL13177715 0.87 DGAT1 (0.48) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL1744121 0.87 DGAT1 (0.48) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL1743040 0.86 DGAT1 (0.50) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL1742757 0.86 DRD3 (0.50) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL1742748 0.85 DRD3 (0.52) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL1741467 0.84 DGAT1 (0.47) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL5623553 0.82 KDM4E (0.59) DGAT1SOAT1KCNH2SMN1; SMN2HPGD
SCHEMBL16256947 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HPGDDRD4KMT2AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
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-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
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
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO 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 DGAT1 4659/4885SOAT1 2759/4885KCNH2 2830/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 DGAT1 4659/4885SOAT1 2759/4885KCNH2 2830/4885

“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.