SCHEMBL4437246

SCHEMBL4437246

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc(F)cc1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL3 Q96JM7 3/20 0.52
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 7/20 0.52
HRH1 P35367 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL4439433 0.98 NAMPT (0.64) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4432907 0.97 NAMPT (0.58) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4431941 0.97 NAMPT (0.66) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4430576 0.90 HTT (0.66) NAMPTL3MBTL1ALDH1A1KDM4EL3MBTL3
SCHEMBL4520495 0.90 L3MBTL3 (0.53) NAMPTL3MBTL1ALDH1A1KDM4EL3MBTL3
SCHEMBL4437349 0.90 KDM4E (0.60) NAMPTL3MBTL1ALDH1A1KDM4EL3MBTL3
SCHEMBL4430369 0.90 NAMPT (0.55) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4437408 0.89 NAMPT (0.55) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4438452 0.89 NAMPT (0.52) NAMPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4430323 0.89 L3MBTL3 (0.52) NAMPTL3MBTL1ALDH1A1KDM4EL3MBTL3

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 NAMPT 1309/4885L3MBTL1 2302/4885ALDH1A1 3918/4885

“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.