SCHEMBL3123237

SCHEMBL3123237

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.59
CACNB3 P54284 1/20 0.59
CACNA1C Q13936 1/20 0.59
PGR P06401 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
CACNA2D2 Q9NY47 1/20 0.59
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR84 Q9NQS5 4/20 0.41
ACE2 Q9BYF1 1/20 0.40
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
MAPT P10636 1/20 0.36
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
GABRR1 P24046 2/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL25858 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3245952 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4387074 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4383738 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1814331 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL3833106 0.98 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL3116514 0.98 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL3833112 0.98 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3119131 0.95 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL26083 0.95 CACNA2D1 (0.58) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US claimed
EP-2172197-A1 Octanoic acid derivative to treat fibromyalgia and other pains Warner-Lambert Company LLC (US) 2010-04-07 EP disclosed
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US 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
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1192125-B1 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2008-12-31 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US 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-7138542-B2 Method of treating tinnitus WARNER LAMBERT COMPANY (US) 2006-11-21 US disclosed
US-20060100281-A1 Method of treating tinnitus DOOLEY DAVID J 2006-05-11 US disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 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

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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 CACNA2D1 3541/4885CACNB3 1477/4885CACNA1C 2966/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 CACNA2D1 1282/4885CACNB3 944/4885CACNA1C 678/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 CACNA2D1 948/4885CACNB3 867/4885CACNA1C 640/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A CACNA2D1 26/4885CACNB3 56/4885CACNA1C 29/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
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.