SCHEMBL5388962

SCHEMBL5388962

NCC1(Cc2noc(=S)[nH]2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5387723 0.98 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CUSP2ALDH1A1
SCHEMBL5393743 0.98 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CUSP2ALDH1A1
SCHEMBL7249455 0.89 CACNB3 (0.30) CACNA2D1CACNB3CACNA1C
SCHEMBL7250237 0.89 CACNB3 (0.30) CACNA2D1CACNB3CACNA1C
SCHEMBL7250444 0.89 CACNB3 (0.30) CACNA2D1CACNB3CACNA1C
SCHEMBL7249035 0.86 CACNB3 (0.32) CACNA2D1CACNB3CACNA1C
SCHEMBL7254824 0.85 CACNB3 (0.31) CACNA2D1CACNB3CACNA1C
SCHEMBL7479255 0.84 CYP1A2 (0.33) CACNA2D1CACNB3CACNA1CCYP1A2
SCHEMBL5405319 0.84 CYP1A2 (0.35) CACNA2D1CACNB3CACNA1CCYP1A2
SCHEMBL5405315 0.84 CYP1A2 (0.35) CACNA2D1CACNB3CACNA1CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20030203945-A1 Heterocyclic derivatives useful as pharmaceutical agents BLAKEMORE DAVID CLIVE (GB) 2003-10-30 US claimed
US-6518289-B1 Especially irritable bowel syndrome PFIZER, INC. 2003-02-11 US claimed
US-20020077342-A1 Heterocyclic derivatives useful as pharmaceutical agents WARNER-LAMBERT COMPANY 2002-06-20 US claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
WO-2002036118-A2 HETEROCYCLIC DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO claimed
EP-1201240-A2 Heterocyclic derivatives useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2002-05-02 EP 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
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 CACNA2D1 394/4885CACNB3 313/4885CACNA1C 151/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNA2D1 394/4885CACNB3 313/4885CACNA1C 151/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CACNA2D1 394/4885CACNB3 313/4885CACNA1C 151/4885
US-20020077342-A1 Heterocyclic derivatives useful as pharmaceutical agents CNR1, SUCNR1, CACNA1A CACNA2D1 192/4885CACNB3 1527/4885CACNA1C 475/4885
US-20030203945-A1 Heterocyclic derivatives useful as pharmaceutical agents CNR1, SUCNR1, CACNA1A CACNA2D1 192/4885CACNB3 1527/4885CACNA1C 475/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 CACNA2D1 312/4885CACNB3 141/4885CACNA1C 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.