SCHEMBL4509944

SCHEMBL4509944

Cc1cccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.54
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL3 Q96JM7 3/20 0.49
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 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
SCHEMBL4430323 0.90 L3MBTL3 (0.52) KDM2BL3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL4437349 0.89 KDM4E (0.60) L3MBTL1KDM4EALDH1A1HTTL3MBTL3
SCHEMBL4430632 0.88 L3MBTL3 (0.55) KDM2BL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4430576 0.88 HTT (0.66) HPGDL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4437242 0.88 KDM4E (0.66) KDM2BL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL4432752 0.87 NAMPT (0.55) L3MBTL1KDM4EALDH1A1HTTL3MBTL3
SCHEMBL4428076 0.87 KDM4E (0.64) L3MBTL1KDM4EALDH1A1HTTL3MBTL3
SCHEMBL4518664 0.87 HSD11B1 (0.49) L3MBTL1KDM4EALDH1A1HTTL3MBTL3
SCHEMBL4431707 0.86 KDM4E (0.57) L3MBTL1KDM4EALDH1A1HTTL3MBTL3
SCHEMBL4438476 0.86 KDM4E (0.66) L3MBTL1KDM4EALDH1A1HTTL3MBTL3

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 KDM2B 1123/4885HPGD 786/4885L3MBTL1 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.