SCHEMBL12418545

SCHEMBL12418545

C[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
AOC3 Q16853 3/20 0.41
HRH1 P35367 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM2B Q8NHM5 2/20 0.38
CYP2D6 P10635 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL12418544 1.00 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL1790797 0.90 HRH3 (0.55) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2194239 0.89 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2188621 0.89 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2270809 0.79 HRH3 (0.58) HRH3HRH1MAPTMAPK1KDM2B
SCHEMBL1787581 0.77 HRH3 (0.48) HRH3HRH1KDM2BCYP2D6
SCHEMBL2221314 0.76 HRH3 (0.44) HRH3AOC3HRH1CYP2D6
SCHEMBL2264778 0.76 HRH3 (0.44) HRH3AOC3HRH1CYP2D6
SCHEMBL2264905 0.75 HRH3 (0.49) HRH3HRH1CYP2D6
SCHEMBL1790800 0.75 AOC3 (0.43) HRH3AOC3

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 1 patent. 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 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 1/4885AOC3 468/4885HRH1 4/4885

“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.