SCHEMBL426392

SCHEMBL426392

Cc1cccc(C2CC(=O)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.55
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
ALOX15B O15296 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.45
CYP19A1 P11511 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC4 P56524 1/20 0.42
ACHE P22303 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL30762101 1.00 HTR2C (0.55) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL29496818 0.92 MAPT (0.60) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL12676477 0.92 MAPT (0.60) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL7005918 0.85 HTR2C (0.53) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL296959 0.83 HTR2C (0.54) HTR2CMAPTMEN1KMT2AALOX15
SCHEMBL3533670 0.83 HTR2C (0.50) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL3533811 0.81 HTR2C (0.61) HTR2CMEN1KMT2AALOX15ALOX12
SCHEMBL25375871 0.80 MAPT (0.46) HTR2CGAAMAPTMEN1KMT2A
SCHEMBL1515269 0.79 HTR2C (0.74) HTR2CMEN1KMT2AALOX15ALOX12
SCHEMBL23857826 0.79 MAPT (0.40) GAAMAPTKMT2AMAP1LC3BTDP1

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
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (3 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885GAA 2370/4885MAPT 4323/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885GAA 2370/4885MAPT 4323/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 HTR2C 1935/4885GAA 2370/4885MAPT 4323/4885

“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.