SCHEMBL4531405

SCHEMBL4531405

O=C(c1ccc2c(c1)CCN(Cc1ccccc1)C2)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.76
ALDH1A1 P00352 3/20 0.76
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL4429448 0.88 TMEM97 (0.63) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3456774 0.86 HPGD (1.00) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4428643 0.86 ALDH1A1 (0.58) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4436467 0.86 ALDH1A1 (0.57) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4430814 0.85 ALDH1A1 (0.58) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4239488 0.85 MEN1 (0.61) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL698536 0.83 ALDH1A1 (0.58) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4563712 0.82 ALDH1A1 (0.61) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4432955 0.82 ALDH1A1 (0.57) HPGDALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL1264338 0.81 HDAC6 (0.65) HPGDCYP3A4CYP2D6CYP2C19SMN1; SMN2

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
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP 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
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
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 HPGD 786/4885ALDH1A1 3918/4885CYP3A4 2312/4885

“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.