SCHEMBL4430576

SCHEMBL4430576

O=C(c1ccc2c(c1)CCN(C(=O)c1cccc(F)c1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 1/20 0.63
USP2 O75604 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
NAMPT P43490 2/20 0.56
KDM4E B2RXH2 5/20 0.53
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HSD11B1 P28845 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
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
SCHEMBL4432757 0.97 HTT (0.71) HTTALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL4437246 0.90 NAMPT (0.61) HTTALDH1A1SMN1; SMN2HPGDNAMPT
SCHEMBL4438634 0.90 HTT (0.59) HTTALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL4437349 0.89 KDM4E (0.60) HTTALDH1A1NAMPTKDM4EKCNH2
SCHEMBL4439433 0.88 NAMPT (0.64) HTTALDH1A1SMN1; SMN2HPGDNAMPT
SCHEMBL4437242 0.88 KDM4E (0.66) HTTALDH1A1NAMPTKDM4EKCNH2
SCHEMBL4509944 0.88 KDM2B (0.54) HTTALDH1A1HPGDUSP2NAMPT
SCHEMBL4432907 0.88 NAMPT (0.58) HTTALDH1A1NAMPTKDM4EKCNH2
SCHEMBL4431941 0.87 NAMPT (0.66) HTTALDH1A1NAMPTKDM4EHRH3
SCHEMBL4428076 0.87 KDM4E (0.64) HTTALDH1A1NAMPTKDM4EKCNH2

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 HTT 300/4885ALDH1A1 3918/4885SMN1; SMN2 4327/4885

“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.