SCHEMBL4430801

SCHEMBL4430801

CC(C)N1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)c2ccccc2)C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
KCNH2 Q12809 1/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.50
CHRNA7 P36544 1/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
NAMPT P43490 1/20 0.48
MAOB P27338 1/20 0.48
PRMT5 O14744 3/20 0.48
WDR77 Q9BQA1 3/20 0.48

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
SCHEMBL4506815 0.91 CA1 (0.55) HRH3HSP90AA1HSP90AB1KCNH2CHRNA7
SCHEMBL4504733 0.91 HRH3 (0.52) HRH3HSP90AA1HSP90AB1KCNH2MEN1
SCHEMBL4432922 0.89 CHRNA7 (0.64) HRH3HSP90AA1HSP90AB1KMT2ACHRNA7
SCHEMBL4505535 0.88 HRH3 (0.54) HRH3HSP90AA1HSP90AB1KCNH2HDAC6
SCHEMBL4528655 0.87 CA1 (0.60) HRH3MEN1KMT2AHPGDALDH1A1
SCHEMBL4431956 0.86 HRH3 (0.52) HRH3HSP90AA1HSP90AB1KCNH2HPGD
SCHEMBL4509744 0.84 HRH3 (0.48) HRH3HSP90AA1HSP90AB1KCNH2HDAC6
SCHEMBL4430814 0.83 ALDH1A1 (0.58) HRH3MEN1KMT2AHPGDALDH1A1
SCHEMBL12777929 0.82 MAOB (0.68) HRH3KMT2AHPGDALDH1A1CHRNA7
SCHEMBL4428643 0.80 ALDH1A1 (0.58) HRH3MEN1KMT2AHPGDALDH1A1

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-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
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
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 1/4885HSP90AA1 1768/4885HSP90AB1 1813/4885

“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.