SCHEMBL5053649

SCHEMBL5053649

CC(C)N(C)C(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRK1 P41145 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPY5R Q15761 1/20 0.51
ALOX5 P09917 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL20904188 0.90 ABCC4 (0.55) TSHRMEN1KMT2ANPY5RHPGD
SCHEMBL12856883 0.87 NPY5R (0.54) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL5966848 0.85 TSHR (0.50) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL12157433 0.82 KMT2A (0.53) TSHRMEN1KMT2AALOX5CES2
SCHEMBL21275224 0.82 TSHR (0.48) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL4327645 0.81 KMT2A (0.66) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL21274368 0.80 TSHR (0.46) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL31468006 0.80 OPRK1 (0.46) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL8153290 0.80 NPY5R (0.78) TSHRCYP3A4CYP2D6CYP2C19OPRK1
SCHEMBL339507 0.79 CES2 (0.56) MEN1KMT2AALOX5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 TSHR 3891/4885CYP3A4 4445/4885CYP2D6 4176/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 TSHR 4749/4885CYP3A4 3088/4885CYP2D6 2444/4885

“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.