SCHEMBL4520601

SCHEMBL4520601

O=C(c1ccc2c(c1)CCNC2)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
L3MBTL3 Q96JM7 4/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.51
F10 P00742 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
PARP1 P09874 2/20 0.48
MBTD1 Q05BQ5 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
SCHEMBL4505128 0.99 L3MBTL1 (0.55) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL4428553 0.96 L3MBTL3 (0.52) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL4438453 0.90 L3MBTL3 (0.51) L3MBTL1L3MBTL3F10HRH3MBTD1
SCHEMBL4529378 0.85 F10 (0.55) ALDH1A1F10HRH3
SCHEMBL697184 0.83 MGLL (0.54) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL4563563 0.83 ALDH1A1 (0.59) KDM4EALDH1A1
SCHEMBL4564094 0.82 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL4514344 0.80 HDAC6 (0.67) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL4529449 0.80 HDAC6 (0.67) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL4509076 0.79 HDAC6 (0.65) L3MBTL1L3MBTL3KDM4EALDH1A1POLB

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
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP 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
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
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 2511/4885KDM4E 1117/4885

“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.