SCHEMBL4439293

SCHEMBL4439293

N#Cc1ccc(CN2CCc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.54
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
SLC6A4 P31645 1/20 0.46
PRKAA2 P54646 3/20 0.46
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL4520566 0.89 HRH3 (0.58) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL13895352 0.88 HRH3 (0.57) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4436467 0.88 ALDH1A1 (0.57) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4436601 0.86 HRH3 (0.57) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4523229 0.85 HRH3 (0.57) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4528393 0.84 HRH3 (0.56) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4432955 0.84 ALDH1A1 (0.57) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4437238 0.84 NAMPT (0.53) HRH3ALDH1A1L3MBTL3L3MBTL1HTT
SCHEMBL4428046 0.82 HRH3 (0.50) HRH3ALDH1A1HPGDMBTD1L3MBTL3
SCHEMBL4505609 0.81 HRH3 (0.55) HRH3ALDH1A1HPGDMBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO 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
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 1/4885ALDH1A1 3918/4885HPGD 786/4885

“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.