SCHEMBL5386812

SCHEMBL5386812

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
GAA P10253 1/20 0.43
CNR2 P34972 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CACNA1B Q00975 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
BTK Q06187 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6690998 0.87 CTSS (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL16681191 0.87 CTSS (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL1853356 0.87 CTSS (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL336576 0.85 CTSS (0.45) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL8282037 0.85 EPHX1 (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL8137772 0.85 EPHX1 (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL13622689 0.85 EPHX1 (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL16689350 0.85 CTSS (0.45) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL28860830 0.85 CYP2D6 (0.49) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL3122584 0.84 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSS

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 EPHX1 2236/4885HDAC4 2986/4885HDAC1 2207/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 EPHX1 2819/4885HDAC4 1014/4885HDAC1 1533/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 EPHX1 2321/4885HDAC4 2986/4885HDAC1 2699/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 EPHX1 2819/4885HDAC4 1014/4885HDAC1 1533/4885

“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.