SCHEMBL2980974

SCHEMBL2980974

COc1ccccc1C1CCN(Cc2ccccc2)CC1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ACHE P22303 4/20 0.52
BACE1 P56817 4/20 0.52
BCHE P06276 4/20 0.52
ATM Q13315 1/20 0.51
POLB P06746 1/20 0.50
CHRM4 P08173 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
FUCA1 P04066 2/20 0.49
SLC18A3 Q16572 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL9046764 0.91 MEN1 (0.64) MEN1KMT2AACHEBACE1BCHE
Hydrochloric Acid SCHEMBL7887346 0.86 NPC1 (0.53) MEN1KMT2ABACE1SIGMAR1FUCA1
Hydrochloric Acid SCHEMBL7888835 0.86 MEN1 (0.54) MEN1KMT2AACHEBACE1BCHE
Hydrochloric Acid SCHEMBL7886654 0.85 MEN1 (0.63) MEN1KMT2AACHEBACE1BCHE
SCHEMBL6352566 0.84 MEN1 (0.86) MEN1KMT2AACHEBACE1BCHE
SCHEMBL12975924 0.83 FUCA1 (0.53) MEN1KMT2AACHEBACE1BCHE
Hydrochloric Acid SCHEMBL2883130 0.82 SIGMAR1 (0.54) ACHEPOLBSIGMAR1FUCA1SLC18A3
SCHEMBL6042765 0.80 FUCA1 (0.53) CHRM4SIGMAR1FUCA1SLC18A3
SCHEMBL6042122 0.80 MEN1 (0.63) MEN1KMT2AACHEBACE1SIGMAR1
SCHEMBL7890766 0.80 SIGMAR1 (0.49) ACHESIGMAR1FUCA1SLC18A3

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-1109786-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-27 EP disclosed
WO-2000014067-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-16 WO disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 MEN1 3925/4885KMT2A 82/4885ACHE 4080/4885

“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.