SCHEMBL4520652

SCHEMBL4520652

O=C(C1CCCCC1)C1NCCc2cc(C(=O)N3CC4CC3CN4)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
CDK4 P11802 5/20 0.38
CDK1 P06493 2/20 0.38
PDE4B Q07343 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HDAC6 Q9UBN7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL4527465 0.84 KDM2B (0.37) HDAC6KDM2B
SCHEMBL4529322 0.80 HSD11B1 (0.36)
SCHEMBL4430327 0.78 KDM4E (0.42) KDM1AHDAC6
SCHEMBL4520646 0.77 HDAC6 (0.59) KDM1ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4520650 0.77 HDAC6 (0.59) KDM1ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4431716 0.76 HDAC6 (0.35) HDAC6
SCHEMBL4521487 0.74 HDAC6 (0.31) HDAC6
SCHEMBL4507997 0.74 KDM2B (0.34) HDAC6KDM2B
SCHEMBL4426746 0.74 MEN1 (0.48) CHRNB2CHRNA4HDAC6
SCHEMBL4516753 0.73 KDM2B (0.35) HDAC6KDM2B

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 3 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 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 KDM1A 729/4885CHRNB2 475/4885CHRNA3 133/4885

“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.