SCHEMBL5387052

SCHEMBL5387052

CC1(C)CC(C(CN)c2noc(=O)[nH]2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1C Q13936 1/20 0.34
DDAH1 O94760 1/20 0.32
CTH P32929 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL6230737 0.89 CACNB3 (0.32) CACNB3CACNA2D1CACNA1CDDAH1
SCHEMBL6230345 0.89 CACNB3 (0.32) CACNB3CACNA2D1CACNA1CDDAH1
SCHEMBL6230348 0.89 CACNB3 (0.32) CACNB3CACNA2D1CACNA1CDDAH1
SCHEMBL6885068 0.81 DDAH1 (0.33) CACNB3CACNA2D1CACNA1CDDAH1CTH
SCHEMBL7424718 0.81 DDAH1 (0.33) CACNB3CACNA2D1CACNA1CDDAH1CTH
SCHEMBL6900479 0.81 DDAH1 (0.33) CACNB3CACNA2D1CACNA1CDDAH1CTH
SCHEMBL5384783 0.81 EPHX1 (0.32) DDAH1CTH
SCHEMBL5644935 0.80 DDAH1 (0.32) DDAH1CTH
Hydrochloric Acid SCHEMBL5389051 0.79 KDM4E (0.33) DDAH1CTH
SCHEMBL119958 0.79 EPHX1 (0.35) DDAH1CTH

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-6518289-B1 Especially irritable bowel syndrome PFIZER, INC. 2003-02-11 US claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed
JP-2002508362-A 2002-03-19 JP claimed
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 claimed
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 claimed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-11-29 US disclosed
US-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-09-13 US disclosed
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US 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
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO 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 (8 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-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNB3 313/4885CACNA2D1 394/4885CACNA1C 151/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNB3 313/4885CACNA2D1 394/4885CACNA1C 151/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNB3 1948/4885CACNA2D1 2778/4885CACNA1C 1996/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNB3 313/4885CACNA2D1 394/4885CACNA1C 151/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNB3 313/4885CACNA2D1 394/4885CACNA1C 151/4885
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNB3 313/4885CACNA2D1 394/4885CACNA1C 151/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNB3 1948/4885CACNA2D1 2778/4885CACNA1C 1996/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 CACNB3 141/4885CACNA2D1 312/4885CACNA1C 147/4885

“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.