SCHEMBL4518141

SCHEMBL4518141

O=C(c1ccc2c(c1)CCN(C1CCCC1)C2)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
L3MBTL3 Q96JM7 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HRH3 Q9Y5N1 5/20 0.51
CNR2 P34972 1/20 0.50
CNR1 P21554 4/20 0.49
KCNH2 Q12809 2/20 0.49
AKR1C3 P42330 1/20 0.47
PKM P14618 1/20 0.47
CTSD P07339 1/20 0.47
KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL4516209 0.98 ADRA1A (0.55) ADRA1AL3MBTL3L3MBTL1HRH3CNR2
SCHEMBL1791338 0.90 HRH3 (0.61) ADRA1AL3MBTL3L3MBTL1HRH3CNR2
SCHEMBL4529106 0.89 HRH3 (0.53) L3MBTL3L3MBTL1HRH3CNR1KCNH2
SCHEMBL4528427 0.86 HRH3 (0.56) L3MBTL3L3MBTL1HRH3CNR1KCNH2
SCHEMBL4432948 0.83 L3MBTL3 (0.55) L3MBTL3L3MBTL1HRH3
SCHEMBL4433805 0.83 CNR1 (0.48) ADRA1AL3MBTL3L3MBTL1HRH3CNR1
SCHEMBL4436672 0.82 CNR1 (0.48) ADRA1AL3MBTL3L3MBTL1HRH3CNR1
SCHEMBL4430354 0.81 L3MBTL3 (0.56) L3MBTL3L3MBTL1HRH3KCNH2KDM2B
SCHEMBL3650784 0.81 HRH3 (0.52) ADRA1AL3MBTL3L3MBTL1HRH3KDM2B
SCHEMBL4513124 0.81 HDAC6 (0.61) ADRA1AL3MBTL3L3MBTL1

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 ADRA1A 945/4885L3MBTL3 2511/4885L3MBTL1 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.