SCHEMBL4436313

SCHEMBL4436313

O=C(c1ccccc1)N1CCc2cc(C(=O)N3CCCC3CN3CCCC3)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.58
KCNH2 Q12809 1/20 0.58
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MET P08581 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.46
ALK Q9UM73 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PDE4B Q07343 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATR Q13535 1/20 0.45

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
SCHEMBL4436317 1.00 HRH3 (0.58) HRH3KCNH2HPGDLMNAALDH1A1
SCHEMBL4431944 0.91 HRH3 (0.52) HRH3KCNH2HPGDLMNAALDH1A1
SCHEMBL14080884 0.91 HRH3 (0.52) HRH3KCNH2HPGDLMNAMET
SCHEMBL4431947 0.91 HRH3 (0.52) HRH3KCNH2HPGDLMNAALDH1A1
SCHEMBL4438671 0.91 HRH3 (0.52) HRH3KCNH2HPGDLMNAALDH1A1
SCHEMBL4438670 0.91 HRH3 (0.52) HRH3KCNH2HPGDLMNAALDH1A1
SCHEMBL14080324 0.91 HRH3 (0.52) HRH3KCNH2HPGDALDH1A1MET
SCHEMBL4429528 0.91 HRH3 (0.52) HRH3KCNH2HPGDALDH1A1MET
SCHEMBL4432719 0.91 SMN1; SMN2 (0.59) HRH3KCNH2HPGDALDH1A1MET
SCHEMBL4432721 0.91 SMN1; SMN2 (0.59) HRH3KCNH2HPGDALDH1A1MET

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 4 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

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 HRH3 1/4885KCNH2 991/4885HPGD 786/4885

“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.