SCHEMBL6474046

SCHEMBL6474046

CC(C)(C)OC(=O)N1Cc2c(O)ccc(Cl)c2CC1C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ STS P08842 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6471120 0.85 MIF (0.36) MEN1KMT2AESR2TSHRHSD11B1
SCHEMBL6469357 0.83 HSD11B1 (0.37) OPRK1MEN1KMT2AALDH1A1ESR2
SCHEMBL6504776 0.82 CA2 (0.30) —
SCHEMBL6472982 0.79 HSD11B1 (0.40) MEN1KMT2AHSD11B1NAMPT
SCHEMBL15893740 0.78 ESR2 (0.46) MEN1KMT2AESR2STSNR1H2
SCHEMBL16518049 0.73 ESR2 (0.54) MEN1KMT2AESR2STSMAPT
SCHEMBL29798802 0.72 HDAC8 (0.46) MEN1KMT2AALDH1A1ESR2NR1H2
SCHEMBL2730295 0.72 HDAC8 (0.46) MEN1KMT2AALDH1A1ESR2NR1H2
SCHEMBL4366306 0.71 CYP1A2 (0.42) MEN1KMT2ASTSHDAC8
SCHEMBL4366303 0.71 CYP1A2 (0.42) MEN1KMT2ASTSHDAC8

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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 — — US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 — — 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 OPRK1 10/4885MEN1 867/4885KMT2A 1614/4885

“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.

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