SCHEMBL4524637

SCHEMBL4524637

CC(C)N1CCN(C(=O)c2ccc3c(c2)CCN(Cc2ccc(C(F)(F)F)cc2)C3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.59
HRH3 Q9Y5N1 6/20 0.54
EPHX2 P34913 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4519816 0.88 HRH3 (0.58) ACACBHRH3ALDH1A1HPGDHTT
SCHEMBL4430814 0.87 ALDH1A1 (0.58) ACACBHRH3ALDH1A1HPGDHTT
SCHEMBL4432726 0.85 HRH3 (0.55) ACACBHRH3ALDH1A1HPGDHTT
SCHEMBL4505609 0.85 HRH3 (0.55) ACACBHRH3SIGMAR1ALDH1A1HPGD
SCHEMBL4428643 0.83 ALDH1A1 (0.58) ACACBHRH3ALDH1A1HPGDHTT
SCHEMBL4523229 0.83 HRH3 (0.57) ACACBHRH3SIGMAR1ALDH1A1HPGD
SCHEMBL4517559 0.80 ACACB (0.66) ACACBHPGDHTTSMN1; SMN2POLB
Potassium Ion SCHEMBL4527368 0.79 ACACB (0.57) ACACBSIGMAR1ALDH1A1HPGDHTT
SCHEMBL1263457 0.79 HDAC6 (0.62) ACACBHTTSMN1; SMN2POLB
SCHEMBL13503647 0.77 EPHX2 (0.81) HRH3EPHX2SIGMAR1HPGD

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 5 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
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 ACACB 3914/4885HRH3 1/4885EPHX2 1981/4885

“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.