SCHEMBL3118271

SCHEMBL3118271

CC(CC1CC1)CC(CN)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.58
CACNB3 P54284 1/20 0.58
CACNA1C Q13936 1/20 0.58
PGR P06401 1/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
CACNA2D2 Q9NY47 1/20 0.58
ALDH1A1 P00352 1/20 0.38
ANPEP P15144 2/20 0.36
ENPEP Q07075 2/20 0.36
GABRR1 P24046 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3113262 1.00 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913710 1.00 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3116965 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913767 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913830 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3118255 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3122026 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3114901 0.94 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6255105 0.92 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL21195173 0.92 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US claimed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US claimed
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-2172197-A1 Octanoic acid derivative to treat fibromyalgia and other pains Warner-Lambert Company LLC (US) 2010-04-07 EP disclosed
EP-1192125-B9 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
EP-1192125-B1 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2008-12-31 EP disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
EP-1840117-A1 Mono- and disubstituted 3-propyl gamma-aminobutyric acids Warner-Lambert Company LLC (US) 2007-10-03 EP disclosed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US disclosed
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2004-04-01 US disclosed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 US disclosed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 CACNA2D1 1075/4885CACNB3 529/4885CACNA1C 265/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D CACNA2D1 1106/4885CACNB3 886/4885CACNA1C 464/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 CACNA2D1 1075/4885CACNB3 529/4885CACNA1C 265/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 CACNA2D1 484/4885CACNB3 586/4885CACNA1C 266/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 CACNA2D1 484/4885CACNB3 586/4885CACNA1C 266/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885

“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.