SCHEMBL1200044

SCHEMBL1200044

CCC[C@@H](C)CCC=C(C)C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NFE2L2 Q16236 1/20 0.39
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37

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
SCHEMBL1200047 1.00 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3117924 1.00 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1200445 0.86 ALOX15 (0.63) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL31562149 0.86 ALOX15 (0.52) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1200446 0.86 ALOX15 (0.63) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3125002 0.85 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3108390 0.85 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3108399 0.85 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1198833 0.83 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1198831 0.83 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC. (US) 2014-07-24 US disclosed
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC 2012-12-27 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
EP-2196201-A2 Combination of an alpha-2-delta ligand with a pdev inhibitor or a muscarinic antagonist to treat lower urinary tract symptoms Warner-Lambert Company LLC (US) 2010-06-16 EP disclosed
EP-1572173-B1 ALPHA-2-DELTA LIGAND TO TREAT LOWER URINARY TRACT SYMPTOMS WARNER LAMBERT CO (US) 2010-04-28 EP disclosed
EP-2172197-A1 Octanoic acid derivative to treat fibromyalgia and other pains Warner-Lambert Company LLC (US) 2010-04-07 EP disclosed
US-20100081718-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC 2010-04-01 US disclosed
EP-2156863-A2 Combinations comprising alpha-2-delta ligands and serotonin / noradrenaline reuptake inhibitors Pfizer Limited (GB) 2010-02-24 EP disclosed
EP-1663398-B1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND SEROTONIN / NORADRENALINE REUPTAKE INHIBITORS PFIZER LTD (GB) 2009-11-25 EP disclosed
EP-1192125-B9 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO 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 (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-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH GABRB2, GABRB3, GABRB1 ALOX15 2292/4885ALDH1A1 581/4885TSHR 3117/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D ALOX15 2410/4885ALDH1A1 137/4885TSHR 447/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALOX15 1587/4885ALDH1A1 30/4885TSHR 3180/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A ALOX15 4434/4885ALDH1A1 3683/4885TSHR 3493/4885
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 ALOX15 3118/4885ALDH1A1 1636/4885TSHR 679/4885
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 ALOX15 3118/4885ALDH1A1 1636/4885TSHR 679/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 ALOX15 412/4885ALDH1A1 311/4885TSHR 1238/4885
US-20100081718-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, SIGMAR1, OPRL1 ALOX15 3548/4885ALDH1A1 1455/4885TSHR 818/4885

“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.