SCHEMBL4431707

SCHEMBL4431707

O=C(c1ccc2c(c1)CCN(C(=O)c1ccccc1)C2)N1CCCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HRH3 Q9Y5N1 8/20 0.56
NAMPT P43490 1/20 0.54
L3MBTL3 Q96JM7 7/20 0.54
L3MBTL1 Q9Y468 6/20 0.54
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL4437349 0.97 KDM4E (0.60) KDM4EPOLBALDH1A1HRH3NAMPT
SCHEMBL4425780 0.96 KDM4E (0.57) KDM4EPOLBALDH1A1HRH3NAMPT
SCHEMBL4428076 0.95 KDM4E (0.64) KDM4EPOLBALDH1A1HRH3NAMPT
SCHEMBL4438476 0.94 KDM4E (0.66) KDM4EPOLBALDH1A1HRH3NAMPT
SCHEMBL4430346 0.91 HRH3 (0.59) KDM4EALDH1A1HRH3NAMPTL3MBTL3
SCHEMBL4432907 0.91 NAMPT (0.58) KDM4EALDH1A1HRH3NAMPTL3MBTL3
SCHEMBL4431774 0.90 L3MBTL1 (0.62) KDM4EALDH1A1HRH3L3MBTL3L3MBTL1
SCHEMBL4430623 0.88 ALDH1A1 (0.53) KDM4EPOLBALDH1A1HRH3NAMPT
SCHEMBL4429429 0.88 MEN1 (0.54) KDM4EALDH1A1HRH3NAMPTL3MBTL3
SCHEMBL4520495 0.88 L3MBTL3 (0.53) KDM4EPOLBALDH1A1HRH3NAMPT

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 KDM4E 1117/4885POLB 4596/4885ALDH1A1 3918/4885

“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.