SCHEMBL4429448

SCHEMBL4429448

O=C(c1ccc2c(c1)CCN(Cc1ccccc1)C2)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
ADRA2A P08913 2/20 0.63
ADRA2B P18089 2/20 0.63
DRD4 P21917 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2B P41595 1/20 0.63
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
HPGD P15428 2/20 0.60
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 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
SCHEMBL4531405 0.88 HPGD (0.76) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL4430814 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTHPGDCYP2C19
SCHEMBL4239488 0.83 MEN1 (0.61) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL4436467 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTHPGDCYP2C19
SCHEMBL4436447 0.81 NAMPT (0.53) ALDH1A1HPGDGAAKMT2APKM
SCHEMBL698536 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTHPGDCYP2C19
SCHEMBL4428643 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTHPGDCYP2C19
SCHEMBL16085389 0.79 NOD1 (0.73) ALDH1A1SMN1; SMN2HTTHPGDCYP2C19
SCHEMBL1264338 0.79 HDAC6 (0.65) SMN1; SMN2HPGDCYP2C19CYP3A4CYP2D6
SCHEMBL3968486 0.78 ACACB (0.69) TMEM97SIGMAR1DRD4HTR2BALDH1A1

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 TMEM97 286/4885SIGMAR1 393/4885ADRA2A 501/4885

“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.