SCHEMBL4429223

SCHEMBL4429223

CC(C)(C)c1ccc(C(=O)N2CCc3cc(C(=O)N4CCC[C@H]4CN4CCCC4)ccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.52
HRH3 Q9Y5N1 8/20 0.49
KCNH2 Q12809 1/20 0.49
MOGAT2 Q3SYC2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4429222 1.00 MET (0.52) METHRH3KCNH2MOGAT2HSP90AA1
SCHEMBL4438671 0.90 HRH3 (0.52) METHRH3KCNH2MEN1ALDH1A1
SCHEMBL4438670 0.90 HRH3 (0.52) METHRH3KCNH2MEN1ALDH1A1
SCHEMBL4436313 0.89 HRH3 (0.58) METHRH3KCNH2MEN1ALDH1A1
SCHEMBL4436317 0.89 HRH3 (0.58) METHRH3KCNH2MEN1ALDH1A1
SCHEMBL4431944 0.88 HRH3 (0.52) METHRH3KCNH2ALDH1A1SMN1; SMN2
SCHEMBL4431947 0.88 HRH3 (0.52) METHRH3KCNH2ALDH1A1SMN1; SMN2
SCHEMBL14080884 0.88 HRH3 (0.52) METHRH3KCNH2ENPP2HPGD
SCHEMBL4430313 0.88 HDAC6 (0.54) METHRH3KCNH2
SCHEMBL4430310 0.88 HDAC6 (0.54) METHRH3KCNH2

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 6 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
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 MET 879/4885HRH3 1/4885KCNH2 991/4885

“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.