SCHEMBL5388115

SCHEMBL5388115

NCC1(CS(N)(=O)=O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
CACNA2D1 P54289 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5388503 1.00 USP2 (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5381314 0.98 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6880705 0.88 USP2 (0.41) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7248318 0.81 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7174675 0.80 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL8316025 0.80 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1333638 0.80 LMNA (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5384819 0.80 LMNA (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7255236 0.78
SCHEMBL7249799 0.78

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 43 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-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 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 USP2 1071/4885ALDH1A1 30/4885LMNA 406/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 USP2 1071/4885ALDH1A1 30/4885LMNA 406/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 USP2 2142/4885ALDH1A1 104/4885LMNA 4731/4885

“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.