SCHEMBL4432955

SCHEMBL4432955

O=C(c1ccc2c(c1)CN(Cc1ccccc1)CC2)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 5/20 0.56
HRH3 Q9Y5N1 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 2/20 0.52
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MBTD1 Q05BQ5 2/20 0.50
L3MBTL3 Q96JM7 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL4436467 0.96 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL4520566 0.87 HRH3 (0.58) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL13895352 0.86 HRH3 (0.57) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL698536 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL4436601 0.84 HRH3 (0.57) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4523229 0.84 HRH3 (0.57) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4439293 0.84 HRH3 (0.54) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL4528393 0.82 HRH3 (0.56) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL4428046 0.82 HRH3 (0.50) ALDH1A1HPGDKDM4EHRH3SMN1; SMN2
SCHEMBL4531405 0.82 HPGD (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2HTT

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 ALDH1A1 3918/4885HPGD 786/4885KDM4E 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.