SCHEMBL4516243

SCHEMBL4516243

CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.63
NR1H2 P55055 1/20 0.56
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 1/20 0.49
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
HPGD P15428 1/20 0.46
NAMPT P43490 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4229966 0.92 USP2 (0.54) ESR2NR1H2USP2SMN1; SMN2KMT2A
SCHEMBL4505068 0.88 ESR2 (0.66) ESR2NR1H2KMT2AHSP90AA1HSP90AB1
SCHEMBL29406723 0.83 ESR2 (0.72) ESR2NR1H2HDAC8HDAC6NAMPT
SCHEMBL306991 0.83 ESR2 (0.72) ESR2NR1H2HDAC8HDAC6NAMPT
SCHEMBL1365145 0.83 ESR2 (0.72) ESR2NR1H2SMN1; SMN2KMT2AHDAC8
SCHEMBL15000510 0.83 ESR2 (0.65) ESR2NR1H2USP2SMN1; SMN2PIK3CA
SCHEMBL31428491 0.82 ESR2 (0.46) ESR2NR1H2KMT2AHSD17B10HSP90AA1
SCHEMBL14063061 0.82 ESR2 (0.70) ESR2NR1H2HDAC8HDAC6MAPK1
SCHEMBL4689450 0.82 ESR2 (0.70) ESR2NR1H2KMT2AHDAC8HDAC6
SCHEMBL4520156 0.82 ESR2 (0.57) ESR2NR1H2KMT2ANAMPTMEN1

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 3 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 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 1284/4885NR1H2 99/4885USP2 3004/4885

“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.