SCHEMBL4527465

SCHEMBL4527465

O=C(C1CCCCC1)C1NCCc2cc(C(=O)N3CC4CC3CN4C3CCC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.37
HDAC6 Q9UBN7 3/20 0.33
OPRM1 P35372 1/20 0.31
HSD11B1 P28845 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL4529322 0.85 HSD11B1 (0.36) HSD11B1
SCHEMBL4520652 0.84 KDM1A (0.45) KDM2BHDAC6
SCHEMBL4507997 0.77 KDM2B (0.34) KDM2BHDAC6
SCHEMBL4430327 0.77 KDM4E (0.42) HDAC6OPRM1HSD11B1
SCHEMBL4516753 0.76 KDM2B (0.35) KDM2BHDAC6
SCHEMBL4527462 0.76 HDAC6 (0.59) KDM2BHDAC6
SCHEMBL4527460 0.76 HDAC6 (0.59) KDM2BHDAC6
SCHEMBL4521487 0.74 HDAC6 (0.31) HDAC6OPRM1
SCHEMBL4431716 0.74 HDAC6 (0.35) HDAC6OPRM1HSD11B1
SCHEMBL4426746 0.73 MEN1 (0.48) HDAC6OPRM1HSD11B1

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 2 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

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 KDM2B 1123/4885HDAC6 848/4885OPRM1 183/4885

“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.