SCHEMBL1198575

SCHEMBL1198575

CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2)C[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.42
P2RX3 P56373 1/20 0.41
EPHX2 P34913 1/20 0.40
SLC6A4 P31645 2/20 0.40
GRM5 P41594 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
UCHL1 P09936 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL12646645 1.00 MCL1 (0.42) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL12589812 1.00 MCL1 (0.42) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL13481730 1.00 MCL1 (0.42) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL13481692 0.89 P2RX3 (0.51) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL1198567 0.89 P2RX3 (0.51) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL12589826 0.89 P2RX3 (0.51) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL13106875 0.89 P2RX3 (0.51) MCL1P2RX3EPHX2SLC6A4GRM5
SCHEMBL23452261 0.87 MCL1 (0.51) MCL1P2RX3UCHL1
SCHEMBL9544995 0.87 MCL1 (0.51) MCL1P2RX3UCHL1
SCHEMBL6842708 0.87 MCL1 (0.51) MCL1P2RX3UCHL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 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
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7432299-B2 Method of treatment for sexual dysfunction PFIZER INC. (US) 2008-10-07 US disclosed
US-7432299-B2 Method of treatment for sexual dysfunction PFIZER INC. (US) 2008-10-07 US disclosed
US-20040180958-A1 Method of treatment PFIZER PRODUCTS INC. 2004-09-16 US disclosed
US-20040176456-A1 Method of treatment for sexual dysfunction TAYLOR CHARLES PRICE (US) 2004-09-09 US disclosed
WO-2004054560-A1 ALPHA-2-DELTA LIGAND TO TREAT LOWER URINARY TRACT SYMPTOMS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 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 (4 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-20040176456-A1 Method of treatment for sexual dysfunction SHBG, CHRND, ADRB2 MCL1 4867/4885P2RX3 420/4885EPHX2 2096/4885
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH GABRB2, GABRB3, GABRB1 MCL1 4873/4885P2RX3 795/4885EPHX2 2707/4885
US-20040180958-A1 Method of treatment BPHL, ADRA2B, ADRB2 MCL1 4876/4885P2RX3 1863/4885EPHX2 1598/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 MCL1 3022/4885P2RX3 22/4885EPHX2 340/4885

“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.