SCHEMBL3118348

SCHEMBL3118348

COc1ccccc1OCCC(C)C[C@H](CN)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.44
CACNA2D1 P54289 2/20 0.43
ADRA1A P35348 2/20 0.43
CACNB3 P54284 1/20 0.43
CACNA1C Q13936 1/20 0.43
PGR P06401 1/20 0.43
HTR2B P41595 1/20 0.43
CACNA2D2 Q9NY47 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL29139996 1.00 LMNA (0.51) LMNASMN1; SMN2POLBHTTCACNA2D1
SCHEMBL1913728 1.00 LMNA (0.51) LMNASMN1; SMN2POLBHTTCACNA2D1
SCHEMBL3112068 0.88 SMN1; SMN2 (0.49) LMNASMN1; SMN2POLBCACNA2D1ADRA1A
SCHEMBL1913866 0.88 SMN1; SMN2 (0.49) LMNASMN1; SMN2POLBCACNA2D1ADRA1A
SCHEMBL3241280 0.88 SMN1; SMN2 (0.49) LMNASMN1; SMN2POLBCACNA2D1ADRA1A
SCHEMBL3119985 0.87 KDM4E (0.45) HTTCACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL1913968 0.87 CACNA2D1 (0.42) SMN1; SMN2POLBHTTCACNA2D1ADRA1A
SCHEMBL6453186 0.87 KDM4E (0.45) HTTCACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL1913765 0.87 KDM4E (0.45) HTTCACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL7116294 0.87 CACNA2D1 (0.42) SMN1; SMN2POLBHTTCACNA2D1ADRA1A

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 LMNA 2559/4885SMN1; SMN2 768/4885POLB 2726/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D LMNA 2628/4885SMN1; SMN2 3220/4885POLB 2594/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 LMNA 406/4885SMN1; SMN2 1834/4885POLB 1223/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 LMNA 3292/4885SMN1; SMN2 3212/4885POLB 1960/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 LMNA 2559/4885SMN1; SMN2 768/4885POLB 2726/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 LMNA 2250/4885SMN1; SMN2 1387/4885POLB 1926/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 LMNA 2250/4885SMN1; SMN2 1387/4885POLB 1926/4885

“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.