SCHEMBL3117948

SCHEMBL3117948

CC(C)/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDH1 O75874 9/20 0.39
IL6ST P40189 1/20 0.37
RIPK1 Q13546 2/20 0.37
AVPR1A P37288 2/20 0.36
NAAA Q02083 1/20 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
SCHEMBL29021004 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5371801 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5166307 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5371795 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874438 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23298241 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL28838633 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874440 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874439 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6674043 0.84 ALDH1A1 (0.41) ALDH1A1GAAHTTNPC1LMNA

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 34 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
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-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-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US 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
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
US-20040186177-A1 Alpha2delta ligands for fibromyalgia and other disorders DOOLEY DAVID JAMES (US) 2004-09-23 US 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
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 (8 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 ALDH1A1 775/4885GAA 2743/4885HTT 2174/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D ALDH1A1 137/4885GAA 2961/4885HTT 3060/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALDH1A1 30/4885GAA 1897/4885HTT 1158/4885
US-20040186177-A1 Alpha2delta ligands for fibromyalgia and other disorders OPRD1, HTR1A, HTR3A ALDH1A1 541/4885GAA 3744/4885HTT 2321/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALDH1A1 775/4885GAA 2743/4885HTT 2174/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALDH1A1 30/4885GAA 1897/4885HTT 1158/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 ALDH1A1 311/4885GAA 516/4885HTT 377/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 ALDH1A1 311/4885GAA 516/4885HTT 377/4885

“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.