SCHEMBL4430632

SCHEMBL4430632

Cc1ccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
NAMPT P43490 3/20 0.53
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.48
KDM2B Q8NHM5 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4432752 0.99 NAMPT (0.55) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4430323 0.98 L3MBTL3 (0.52) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4431810 0.92 L3MBTL3 (0.51) L3MBTL3L3MBTL1NAMPTALDH1A1HRH3
SCHEMBL4428076 0.90 KDM4E (0.64) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4438476 0.89 KDM4E (0.66) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4521976 0.89 HRH3 (0.59) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4439433 0.89 NAMPT (0.64) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4509944 0.88 KDM2B (0.54) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL4436428 0.88 HRH3 (0.58) L3MBTL3L3MBTL1NAMPTKDM4EPOLB
SCHEMBL13895388 0.88 NAMPT (0.55) L3MBTL3L3MBTL1NAMPTKDM4EPOLB

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 L3MBTL3 2511/4885L3MBTL1 2302/4885NAMPT 1309/4885

“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.