SCHEMBL5388073

SCHEMBL5388073

NCC1(CP(=O)(O)O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 2/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C19 P33261 1/20 0.41
ANPEP P15144 2/20 0.31
ERAP2 Q6P179 2/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30
OTC P00480 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
SCHEMBL5394737 1.00 TSHR (0.50) TSHRALDH1A1LMNABLMUSP2
SCHEMBL5394762 0.98 TSHR (0.47) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7429551 0.82 CYP1A2 (0.46) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7429556 0.82 CYP1A2 (0.46) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7255156 0.82 USP2 (0.33) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7253878 0.79 FDPS (0.31) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7251889 0.79 ANPEP (0.34) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7253198 0.79 ANPEP (0.31) TSHRALDH1A1LMNABLMUSP2
SCHEMBL6898653 0.79 CACNA2D1 (0.34) TSHRALDH1A1LMNABLMUSP2
SCHEMBL7429187 0.78 USP2 (0.33) TSHRALDH1A1LMNABLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1625393-A Alpha 2 delta ligands to treat tinnitus WARNER LAMBERT CO (US) 2005-06-08 CN claimed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP claimed
EP-1047678-B1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER LAMBERT CO (US) 2004-09-08 EP claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
CN-1495160-A I-substituted-1-aminomethyl-cycloalkane derivative (gabapentin analogs), its preparation and application for curing neuropathy ��ʲ 2004-05-12 CN claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US claimed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO 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
CN-1279674-A 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders WARNER LAMBERT CO (US) 2001-01-10 CN 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
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
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
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
CN-1279674-A 1-substituted-1-aminomethyl-cycloalkane derivatives (= gabapentin analogues), their preparation and their use in the treatment of neurological disorders WARNER LAMBERT CO (US) 2001-01-10 CN 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 (6 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 TSHR 447/4885ALDH1A1 137/4885LMNA 2628/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 TSHR 561/4885ALDH1A1 268/4885LMNA 2350/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 TSHR 3180/4885ALDH1A1 30/4885LMNA 406/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 TSHR 561/4885ALDH1A1 268/4885LMNA 2350/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 TSHR 3180/4885ALDH1A1 30/4885LMNA 406/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 TSHR 2715/4885ALDH1A1 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.