SCHEMBL5387604

SCHEMBL5387604

NCC1(CC(=O)NO)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
USP2 O75604 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
CACNA2D1 P54289 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 3/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5398395 1.00 ALDH1A1 (0.62) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL5394362 0.98 ALDH1A1 (0.59) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL32681951 0.87 MAPK1 (0.49) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7424443 0.83 CYP1A2 (0.51) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7248777 0.83 USP2 (0.43) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL25724243 0.82 ALDH1A1 (0.60) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL14085480 0.82 ALDH1A1 (0.66) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7252958 0.81 USP2 (0.40) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7249022 0.81 USP2 (0.40) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7252552 0.81 USP2 (0.40) ALDH1A1USP2LMNACYP1A2TSHR

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 51 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
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-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
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
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
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-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
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
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 ALDH1A1 268/4885USP2 4327/4885LMNA 2350/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885USP2 4327/4885LMNA 2350/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALDH1A1 30/4885USP2 1071/4885LMNA 406/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885USP2 4327/4885LMNA 2350/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885USP2 4327/4885LMNA 2350/4885
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 ALDH1A1 268/4885USP2 4327/4885LMNA 2350/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALDH1A1 30/4885USP2 1071/4885LMNA 406/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 ALDH1A1 104/4885USP2 2142/4885LMNA 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.