SCHEMBL4428643

SCHEMBL4428643

CC(C)N1CCCN(C(=O)c2ccc3c(c2)CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HRH3 Q9Y5N1 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51
CHRNA7 P36544 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACACB O00763 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48

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
SCHEMBL4430814 0.96 ALDH1A1 (0.58) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4519816 0.87 HRH3 (0.58) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4531405 0.86 HPGD (0.76) ALDH1A1HPGDSMN1; SMN2HTTCYP3A4
SCHEMBL4432726 0.84 HRH3 (0.55) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4524637 0.83 ACACB (0.59) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4429448 0.80 TMEM97 (0.63) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4436467 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4430801 0.80 HRH3 (0.58) ALDH1A1HPGDHRH3SMN1; SMN2CHRNA7
SCHEMBL698536 0.77 ALDH1A1 (0.58) ALDH1A1HPGDHRH3SMN1; SMN2HTT
SCHEMBL4239488 0.77 MEN1 (0.61) ALDH1A1HPGDSMN1; SMN2HTTCYP3A4

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 786/4885HRH3 1/4885

“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.