SCHEMBL4516736

SCHEMBL4516736

CC(C)N1CCCN(C(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NR1H2 P55055 1/20 0.50
CHRNA7 P36544 2/20 0.47
HRH3 Q9Y5N1 10/20 0.45
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
SLC6A4 P31645 4/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL4505068 0.87 ESR2 (0.66) ESR2MEN1KMT2ANR1H2HDAC6
SCHEMBL4516243 0.81 ESR2 (0.63) ESR2MEN1KMT2ANR1H2HDAC6
SCHEMBL4520156 0.81 ESR2 (0.57) ESR2MEN1KMT2ANR1H2HRH3
SCHEMBL4505535 0.81 HRH3 (0.54) CHRNA7HRH3HDAC6HDAC8MAPK1
SCHEMBL4235087 0.80 MEN1 (0.57) ESR2MEN1KMT2ANR1H2HDAC6
SCHEMBL29676853 0.80 ESR2 (0.62) ESR2NR1H2HRH3PDK2
SCHEMBL18794493 0.80 ESR2 (0.62) ESR2NR1H2HRH3PDK2
SCHEMBL4514816 0.80 ESR2 (0.56) ESR2MEN1KMT2ANR1H2HDAC6
SCHEMBL4437366 0.80 HDAC6 (0.61) KMT2ACHRNA7HRH3HDAC6
SCHEMBL4506815 0.79 CA1 (0.55) CHRNA7HRH3MAPK1HSP90AA1HSP90AB1

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 ESR2 1284/4885MEN1 1876/4885KMT2A 153/4885

“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.