SCHEMBL4530572

SCHEMBL4530572

O=C(c1ccc(Cl)cc1)N1CCc2cc(C(=O)N3CCN4CCCCC4C3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.51
L3MBTL3 Q96JM7 4/20 0.51
HRH3 Q9Y5N1 5/20 0.51
CCNK O75909 2/20 0.48
CDK12 Q9NYV4 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 2/20 0.46
ENPP2 Q13822 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4521976 0.92 HRH3 (0.59) PDE4BPDE4DL3MBTL1L3MBTL3HRH3
SCHEMBL4437330 0.91 L3MBTL1 (0.59) PDE4BL3MBTL1L3MBTL3HRH3CCNK
SCHEMBL4430623 0.91 ALDH1A1 (0.53) PDE4BL3MBTL1L3MBTL3HRH3KDM4E
SCHEMBL4436428 0.91 HRH3 (0.58) PDE4BPDE4DL3MBTL1L3MBTL3HRH3
SCHEMBL4431810 0.90 L3MBTL3 (0.51) PDE4BPDE4DL3MBTL1L3MBTL3HRH3
SCHEMBL4437408 0.90 NAMPT (0.55) L3MBTL1L3MBTL3HRH3KDM4EALDH1A1
SCHEMBL14080614 0.90 L3MBTL3 (0.51) L3MBTL1L3MBTL3CCNKCDK12NAMPT
SCHEMBL4529909 0.89 HRH3 (0.62) PDE4BPDE4DL3MBTL1L3MBTL3HRH3
SCHEMBL4430346 0.89 HRH3 (0.59) PDE4BPDE4DL3MBTL1L3MBTL3HRH3
SCHEMBL4529122 0.89 L3MBTL3 (0.51) L3MBTL1L3MBTL3HRH3CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US 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 PDE4B 3762/4885PDE4D 3846/4885L3MBTL1 2302/4885

“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.