SCHEMBL4529322

SCHEMBL4529322

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCNC2C(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SPR P35270 1/20 0.35
HDAC1 Q13547 1/20 0.34
PARP1 P09874 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
GPR119 Q8TDV5 1/20 0.31
UCHL1 P09936 1/20 0.31
IDH1 O75874 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
SCHEMBL4527465 0.85 KDM2B (0.37) HSD11B1
SCHEMBL4520652 0.80 KDM1A (0.45)
SCHEMBL4436396 0.80 KDM4E (0.35) KDM4EFNTAFNTBNR1H2NR1H3
SCHEMBL4529715 0.79 RORC (0.33) KDM4EFNTAFNTBNR1H2NR1H3
SCHEMBL4529315 0.77 HDAC6 (0.55) HSD11B1NR1H2NPC1RAB9AUCHL1
SCHEMBL4426746 0.74 MEN1 (0.48) HSD11B1KDM4ENPC1RAB9A
SCHEMBL4430327 0.74 KDM4E (0.42) HSD11B1KDM4ERAB9A
SCHEMBL4431716 0.70 HDAC6 (0.35) HSD11B1KDM4ERAB9A
SCHEMBL4521487 0.70 HDAC6 (0.31) KDM4ERAB9A
SCHEMBL4507997 0.70 KDM2B (0.34)

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 1 patent. 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 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 HSD11B1 4075/4885SPR 772/4885HDAC1 353/4885

“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.