SCHEMBL4520495

SCHEMBL4520495

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc(O)cc1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.53
L3MBTL1 Q9Y468 7/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
NAMPT P43490 2/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
HRH3 Q9Y5N1 4/20 0.50
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MBTD1 Q05BQ5 4/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48

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 0.91 KDM4E (0.60) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4430323 0.90 L3MBTL3 (0.52) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4437246 0.90 NAMPT (0.61) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4529909 0.90 HRH3 (0.62) L3MBTL3L3MBTL1NAMPTPDE4BPDE4D
SCHEMBL4428076 0.89 KDM4E (0.64) L3MBTL3L3MBTL1NAMPTPDE4BHRH3
SCHEMBL4431707 0.88 KDM4E (0.57) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4438476 0.88 KDM4E (0.66) L3MBTL3L3MBTL1NAMPTPDE4BHRH3
SCHEMBL4430632 0.88 L3MBTL3 (0.55) L3MBTL3L3MBTL1NAMPTPDE4BPDE4D
SCHEMBL4439433 0.88 NAMPT (0.64) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4521976 0.88 HRH3 (0.59) L3MBTL3L3MBTL1NAMPTPDE4BPDE4D

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 L3MBTL3 2511/4885L3MBTL1 2302/4885CA1 2161/4885

“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.