SCHEMBL4433805

SCHEMBL4433805

CC(C)(C)C1CCN(C(=O)c2ccc3c(c2)CCN(C2CCCC2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.48
TRPV6 Q9H1D0 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
KDM2B Q8NHM5 1/20 0.46
ADRA1A P35348 2/20 0.45
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 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
SCHEMBL4439314 0.98 HRH3 (0.49) CNR1TRPV6HRH3L3MBTL3L3MBTL1
SCHEMBL4436672 0.92 CNR1 (0.48) CNR1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4438681 0.90 HRH3 (0.48) CNR1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4529106 0.86 HRH3 (0.53) CNR1HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL4528427 0.83 HRH3 (0.56) CNR1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4518141 0.83 ADRA1A (0.55) CNR1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4430622 0.81 HRH3 (0.46) CNR1TRPV6HRH3
SCHEMBL4516209 0.81 ADRA1A (0.55) CNR1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4432948 0.81 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4428081 0.79 HDAC6 (0.60) HRH3L3MBTL3L3MBTL1

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 CNR1 41/4885TRPV6 446/4885HRH3 1/4885

“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.