SCHEMBL4437418

SCHEMBL4437418

O=C(CC1CCCC1)N1CCc2cc(C(=O)N3CCN(C4CCC4)CC3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ NAMPT P43490 2/20 0.48
▸ ENPP2 Q13822 1/20 0.47
▸ PRMT5 O14744 1/20 0.47
▸ HRH3 Q9Y5N1 5/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HTT P42858 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
SCHEMBL4430824 0.87 L3MBTL1 (0.51) L3MBTL1L3MBTL3NAMPTHRH3KCNH2
SCHEMBL4429504 0.84 L3MBTL3 (0.48) L3MBTL1L3MBTL3NAMPTHRH3
SCHEMBL4513210 0.84 HDAC6 (0.64) L3MBTL1L3MBTL3NAMPTHRH3KCNH2
SCHEMBL4425805 0.84 KDM4E (0.60) L3MBTL1L3MBTL3NAMPTHRH3KCNH2
SCHEMBL4514585 0.84 L3MBTL3 (0.51) L3MBTL1L3MBTL3NAMPTHRH3KCNH2
SCHEMBL4509076 0.83 HDAC6 (0.65) L3MBTL1L3MBTL3NAMPTHRH3KDM4E
SCHEMBL4519190 0.83 HDAC6 (0.61) L3MBTL1L3MBTL3NAMPTHRH3ALDH1A1
SCHEMBL4520495 0.83 L3MBTL3 (0.53) L3MBTL1L3MBTL3NAMPTHRH3KDM4E
SCHEMBL4428076 0.83 KDM4E (0.64) L3MBTL1L3MBTL3NAMPTHRH3KCNH2
SCHEMBL4521854 0.83 HDAC6 (0.58) L3MBTL1L3MBTL3NAMPTHRH3KCNH2

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 L3MBTL1 2302/4885L3MBTL3 2511/4885NAMPT 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.

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