SCHEMBL4521100

SCHEMBL4521100

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
KMT2A Q03164 2/20 0.51
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NAMPT P43490 2/20 0.48
HRH3 Q9Y5N1 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
EPHX2 P34913 1/20 0.44
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4524431 0.91 RXFP1 (0.57) HPGDKMT2AL3MBTL1CA12CA1
SCHEMBL4437349 0.86 KDM4E (0.60) L3MBTL3L3MBTL1NAMPTHRH3POLB
SCHEMBL4520495 0.86 L3MBTL3 (0.53) L3MBTL3L3MBTL1NAMPTHRH3CA1
SCHEMBL4529909 0.85 HRH3 (0.62) L3MBTL3L3MBTL1NAMPTHRH3KDM4E
SCHEMBL4430323 0.85 L3MBTL3 (0.52) L3MBTL3L3MBTL1NAMPTHRH3POLB
SCHEMBL4437246 0.85 NAMPT (0.61) HPGDKMT2AL3MBTL3L3MBTL1NAMPT
SCHEMBL4428076 0.84 KDM4E (0.64) L3MBTL3L3MBTL1NAMPTHRH3POLB
SCHEMBL4431707 0.83 KDM4E (0.57) L3MBTL3L3MBTL1NAMPTHRH3POLB
SCHEMBL26706250 0.83 KMT2A (0.70) KMT2AL3MBTL3L3MBTL1CA12CA1
SCHEMBL4439433 0.83 NAMPT (0.64) HPGDKMT2AL3MBTL3L3MBTL1NAMPT

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 HPGD 786/4885KMT2A 153/4885L3MBTL3 2511/4885

“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.