SCHEMBL4509744

SCHEMBL4509744

CC(C)N1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)c2ccsc2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
MAPK1 P28482 1/20 0.44
KCNH2 Q12809 1/20 0.43
CHRNA7 P36544 2/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL4504733 0.84 HRH3 (0.52) HRH3HSP90AA1HSP90AB1MAPK1KCNH2
SCHEMBL4506815 0.84 CA1 (0.55) HRH3HSP90AA1HSP90AB1MAPK1KCNH2
SCHEMBL4430801 0.84 HRH3 (0.58) HRH3HSP90AA1HSP90AB1KCNH2CHRNA7
SCHEMBL4505535 0.84 HRH3 (0.54) HRH3HSP90AA1HSP90AB1MAPK1KCNH2
SCHEMBL4432922 0.83 CHRNA7 (0.64) HRH3HSP90AA1HSP90AB1MAPK1CHRNA7
SCHEMBL4431956 0.82 HRH3 (0.52) HRH3HSP90AA1HSP90AB1MAPK1KCNH2
SCHEMBL4528655 0.81 CA1 (0.60) HRH3MAPK1CA1CA2CA7
SCHEMBL4430340 0.81 HRH3 (0.50) HRH3KCNH2HDAC6NAMPT
SCHEMBL4437366 0.75 HDAC6 (0.61) HRH3CHRNA7HDAC6
SCHEMBL4516736 0.75 ESR2 (0.56) HRH3HSP90AA1HSP90AB1MAPK1CHRNA7

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
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

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.