SCHEMBL3119985

SCHEMBL3119985

CC(CCOc1ccccc1F)C[C@H](CN)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GRM2 Q14416 3/20 0.44
CACNA2D1 P54289 2/20 0.42
CACNB3 P54284 1/20 0.42
CACNA1C Q13936 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FFAR1 O14842 1/20 0.38
PPARD Q03181 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6453186 1.00 KDM4E (0.45) KDM4EGRM2CACNA2D1CACNB3CACNA1C
SCHEMBL1913765 1.00 KDM4E (0.45) KDM4EGRM2CACNA2D1CACNB3CACNA1C
SCHEMBL1913886 0.88 CACNA2D1 (0.44) KDM4EGRM2CACNA2D1CACNB3CACNA1C
SCHEMBL3123843 0.88 CACNA2D1 (0.44) KDM4EGRM2CACNA2D1CACNB3CACNA1C
SCHEMBL6895434 0.88 CACNA2D1 (0.44) KDM4EGRM2CACNA2D1CACNB3CACNA1C
SCHEMBL3118348 0.87 LMNA (0.51) KDM4ECACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913728 0.87 LMNA (0.51) KDM4ECACNA2D1CACNB3CACNA1CPGR
SCHEMBL29139996 0.87 LMNA (0.51) KDM4ECACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913968 0.86 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3833181 0.86 CACNA2D1 (0.42) 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 26 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 KDM4E 1802/4885GRM2 134/4885CACNA2D1 1075/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D KDM4E 3627/4885GRM2 392/4885CACNA2D1 1106/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 KDM4E 3350/4885GRM2 1061/4885CACNA2D1 2778/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 KDM4E 3425/4885GRM2 96/4885CACNA2D1 948/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KDM4E 1802/4885GRM2 134/4885CACNA2D1 1075/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 KDM4E 2625/4885GRM2 96/4885CACNA2D1 484/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 KDM4E 2625/4885GRM2 96/4885CACNA2D1 484/4885

“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.