SCHEMBL4518664

SCHEMBL4518664

CN(C)c1cccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
NAMPT P43490 3/20 0.48
ABL1 P00519 5/20 0.48
BCR P11274 5/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.46
POLB P06746 1/20 0.45
USP2 O75604 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
SCHEMBL4519873 0.91 PRMT5 (0.50) NAMPTL3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL4509944 0.87 KDM2B (0.54) HSD11B1NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4437349 0.87 KDM4E (0.60) NAMPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4437242 0.85 KDM4E (0.66) HSD11B1NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4430576 0.85 HTT (0.66) HSD11B1NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4428076 0.84 KDM4E (0.64) NAMPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4431707 0.84 KDM4E (0.57) NAMPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4438476 0.83 KDM4E (0.66) NAMPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL4430323 0.83 L3MBTL3 (0.52) NAMPTL3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL4514585 0.83 L3MBTL3 (0.51) NAMPTL3MBTL1KDM4EALDH1A1L3MBTL3

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 HSD11B1 4075/4885NAMPT 1309/4885ABL1 494/4885

“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.