SCHEMBL2194239

SCHEMBL2194239

CO[C@@H]1CCN(c2ncc(C(=O)N(C)Cc3ccc4c(c3)CCN(C3CCC3)CC4)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
ADRA1A P35348 3/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
DGAT2 Q96PD7 1/20 0.41
AOC3 Q16853 2/20 0.39
HRH1 P35367 1/20 0.39
CYP2D6 P10635 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
SCHEMBL2188621 1.00 HRH3 (0.51) HRH3ADRA1AMAPTMAPK1DGAT2
SCHEMBL12418545 0.89 HRH3 (0.51) HRH3MAPTMAPK1AOC3HRH1
SCHEMBL12418544 0.89 HRH3 (0.51) HRH3MAPTMAPK1AOC3HRH1
SCHEMBL1790797 0.88 HRH3 (0.55) HRH3MAPTMAPK1AOC3HRH1
SCHEMBL2361833 0.85 ADRA1A (0.46) HRH3ADRA1AMAPTMAPK1HRH1
SCHEMBL2194547 0.85 DGAT2 (0.47) HRH3ADRA1ADGAT2HRH1
SCHEMBL2189204 0.85 DGAT2 (0.47) HRH3ADRA1ADGAT2HRH1
SCHEMBL2191783 0.80 HRH3 (0.47) HRH3ADRA1ADGAT2HRH1
SCHEMBL2270809 0.77 HRH3 (0.58) HRH3ADRA1AMAPTMAPK1HRH1
SCHEMBL2267473 0.77 ADRA1A (0.56) HRH3ADRA1AMAPK1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US claimed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO claimed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 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 (1 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-20110172204-A1 COMPOUNDS AND THEIR USE HRH3, HRH4, HRH2 HRH3 1/4885ADRA1A 132/4885MAPT 4228/4885

“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.