SCHEMBL4505502

SCHEMBL4505502

O=C(Cc1ccccc1)N1CCc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
KCNH2 Q12809 1/20 0.54
NPC1 O15118 2/20 0.48
KMT2A Q03164 1/20 0.48
MET P08581 1/20 0.47
RAB9A P51151 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL4505506 1.00 HRH3 (0.54) HRH3KCNH2NPC1KMT2AMET
SCHEMBL13889114 0.89 ABCB1 (0.52) HRH3KCNH2NPC1KMT2A
SCHEMBL4436313 0.89 HRH3 (0.58) HRH3KCNH2KMT2AMETALK
SCHEMBL4436317 0.89 HRH3 (0.58) HRH3KCNH2KMT2AMETALK
SCHEMBL4436367 0.87 HRH3 (0.53) HRH3KCNH2
SCHEMBL4436365 0.87 HRH3 (0.53) HRH3KCNH2
SCHEMBL4438444 0.85 HRH3 (0.51) HRH3KCNH2
SCHEMBL4438442 0.85 HRH3 (0.51) HRH3KCNH2
SCHEMBL4439393 0.83 ALDH1A1 (0.56) HRH3KCNH2KMT2AMET
SCHEMBL4439389 0.83 ALDH1A1 (0.56) HRH3KCNH2KMT2AMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 991/4885NPC1 1894/4885

“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.