SCHEMBL5394348

SCHEMBL5394348

CC(C)(C)OC(=O)NC(CC#N)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.54
CTSS P25774 11/20 0.54
EPHX1 P07099 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
GAA P10253 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
SCHEMBL14431997 0.83 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL5459590 0.83 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL12733104 0.82 EPHX1 (0.48) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL1414447 0.82 EPHX1 (0.48) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL3122584 0.82 EPHX1 (0.48) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL2702388 0.82 EPHX1 (0.48) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL8137772 0.81 EPHX1 (0.47) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL8282037 0.81 EPHX1 (0.47) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL13622689 0.81 EPHX1 (0.47) CTSKCTSSEPHX1HDAC4HDAC1
SCHEMBL3125943 0.81 EPHX1 (0.46) CTSKCTSSEPHX1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7138542-B2 Method of treating tinnitus WARNER LAMBERT COMPANY (US) 2006-11-21 US disclosed
US-20060100281-A1 Method of treating tinnitus DOOLEY DAVID J 2006-05-11 US disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
EP-1475371-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (= GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2004-11-10 EP disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-6518289-B1 Especially irritable bowel syndrome PFIZER, INC. 2003-02-11 US disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP disclosed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 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 (4 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-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D CTSK 3647/4885CTSS 3957/4885EPHX1 2236/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CTSK 717/4885CTSS 1033/4885EPHX1 2819/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 CTSK 3588/4885CTSS 3984/4885EPHX1 2321/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CTSK 717/4885CTSS 1033/4885EPHX1 2819/4885

“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.