SCHEMBL1742810

SCHEMBL1742810

COC1CCC(C(=O)Nc2ccc(-c3cnc(N4CCN(C(C)C)CC4)cn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
MAPK8 P45983 2/20 0.43
MAPK10 P53779 2/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL1742429 0.93 RXFP1 (0.49) RXFP1PTPN2PTPN1KDM4ETP53
SCHEMBL1743141 0.89 PTPN1 (0.57) RXFP1PTPN2PTPN1KDM4ETP53
SCHEMBL1743178 0.87 RXFP1 (0.45) RXFP1PTPN2PTPN1KDM4ETP53
SCHEMBL1742775 0.81 KDM4E (0.46) RXFP1KDM4EMAPTMEN1ALDH1A1
SCHEMBL1742282 0.79 NPC1 (0.42) PTPN1KDM4EHRH3ALDH1A1KMT2A
SCHEMBL1743046 0.78 MAPT (0.50) TP53LMNAMAPTMEN1ALDH1A1
SCHEMBL1742276 0.75 FYN (0.40) HRH3WNT1GSK3BDYRK1A
SCHEMBL1742637 0.75 HRH3 (0.40) HRH3
SCHEMBL12159872 0.73 HRH3 (0.43) KDM4EHRH3LMNA
SCHEMBL1744057 0.73 FYN (0.55) KDM4EHRH3MAPTMEN1ALDH1A1

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
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
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

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 RXFP1 526/4885PTPN2 3019/4885PTPN1 3314/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 RXFP1 526/4885PTPN2 3019/4885PTPN1 3314/4885

“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.