SCHEMBL4436396

SCHEMBL4436396

CC(C)(C)OC(=O)N1CC2=CN(C(=O)c3ccc4c(c3)CCNC4C(=O)C3CCCCC3)CC2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP30 Q70CQ3 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
RORC P51449 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32
PDE4B Q07343 1/20 0.31
NR1H2 P55055 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
SCHEMBL4529715 0.87 RORC (0.33) KDM4EABL1RIN1FNTAFNTB
SCHEMBL4529322 0.80 HSD11B1 (0.36) KDM4EABL1RIN1FNTAFNTB
SCHEMBL4521487 0.79 HDAC6 (0.31) KDM4ERAB9AHDAC6
SCHEMBL4507997 0.78 KDM2B (0.34) HDAC6
SCHEMBL4516753 0.76 KDM2B (0.35) KDM4ERAB9AHDAC6
SCHEMBL4431716 0.75 HDAC6 (0.35) KDM4ERAB9AHDAC6
SCHEMBL15618143 0.72 KMT2A (0.44) ABL1RIN1USP30RORCHPGD
SCHEMBL4426746 0.72 MEN1 (0.48) KDM4ENPC1RAB9AHPGDHDAC6
SCHEMBL4430327 0.71 KDM4E (0.42) KDM4ERAB9AHDAC6
SCHEMBL4520652 0.69 KDM1A (0.45) PDE4BHDAC6

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 KDM4E 1117/4885ABL1 494/4885RIN1 724/4885

“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.