SCHEMBL1004248

SCHEMBL1004248

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PPARD Q03181 1/20 0.34
ABL1 P00519 3/20 0.33
SRC P12931 1/20 0.33
CYP1A2 P05177 2/20 0.33
RIN1 Q13671 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
PTBP1 P26599 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL12844881 0.88 MAPT (0.38) RAB9AMEN1KMT2ACYP1A2GAA
SCHEMBL1005295 0.87 PPARD (0.35) HCRTR1HCRTR2MEN1KMT2APPARD
SCHEMBL1003747 0.86 CA1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL1003014 0.85 MMP2 (0.39) NPC1MEN1KMT2AGAAMAPT
SCHEMBL1004434 0.85 TSHR (0.40) NPC1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL1003927 0.85 PTGS1 (0.35) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL1004655 0.85 NPC1 (0.37) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL1004177 0.85 MAPT (0.38) LMNAMAPTESR1ESR2ALDH1A1
SCHEMBL1004000 0.85 SMN1; SMN2 (0.36) MEN1KMT2ALMNAMAPTESR1
SCHEMBL1004824 0.85 ALDH1A1 (0.41) NPC1MEN1KMT2ALMNAGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NPC1 4329/4885RAB9A 2295/4885HCRTR1 1822/4885

“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.