SCHEMBL4516753

SCHEMBL4516753

O=C(C1CCCCC1)C1NCCc2cc(C(=O)N3C=C4C(CCN4C4CCC4)C3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.35
HDAC6 Q9UBN7 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4521487 0.84 HDAC6 (0.31) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL4529715 0.83 RORC (0.33) KDM4ERAB9A
SCHEMBL4507997 0.78 KDM2B (0.34) KDM2BHDAC6ALDH1A1
SCHEMBL4527465 0.76 KDM2B (0.37) KDM2BHDAC6
SCHEMBL4430327 0.74 KDM4E (0.42) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL4520652 0.73 KDM1A (0.45) KDM2BHDAC6
SCHEMBL4431716 0.73 HDAC6 (0.35) HDAC6KDM4EALDH1A1LMNAMAPT
SCHEMBL4426746 0.73 MEN1 (0.48) HDAC6KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4529322 0.70 HSD11B1 (0.36) KDM4ERAB9A
SCHEMBL4437343 0.69 TSHR (0.38) ALDH1A1MAPT

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 848/4885KDM4E 1117/4885

“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.