SCHEMBL3108476

SCHEMBL3108476

CC(CCO)C[C@H](CN)CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.63
CACNB3 P54284 1/20 0.63
CACNA1C Q13936 1/20 0.63
PGR P06401 1/20 0.63
ADRA1A P35348 1/20 0.63
HTR2B P41595 1/20 0.63
CACNA2D2 Q9NY47 1/20 0.63
GABRR1 P24046 4/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL29140014 1.00 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913749 1.00 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6902213 0.89 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6704459 0.89 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pd-0299685 SCHEMBL1923707 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3114811 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pd-0299685 SCHEMBL119378 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pd-0299685 SCHEMBL1923704 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pd-0299685 SCHEMBL588075 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3121991 0.85 CACNA2D1 (0.69) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 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
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 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 (7 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-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 CACNA2D1 948/4885CACNB3 867/4885CACNA1C 640/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 CACNA2D1 1075/4885CACNB3 529/4885CACNA1C 265/4885
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

“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.