SCHEMBL1198567

SCHEMBL1198567

COC(=O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.51
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PTPN1 P18031 1/20 0.42
MCL1 Q07820 8/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
STS P08842 1/20 0.40
EPHX2 P34913 1/20 0.39
GRM5 P41594 1/20 0.39
UCHL1 P09936 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL12589826 1.00 P2RX3 (0.51) P2RX3NR1H2NR1H3PTPN1MCL1
SCHEMBL13106875 1.00 P2RX3 (0.51) P2RX3NR1H2NR1H3PTPN1MCL1
SCHEMBL13481692 1.00 P2RX3 (0.51) P2RX3NR1H2NR1H3PTPN1MCL1
SCHEMBL12646645 0.89 MCL1 (0.42) P2RX3MCL1EPHX2GRM5UCHL1
SCHEMBL1198575 0.89 MCL1 (0.42) P2RX3MCL1EPHX2GRM5UCHL1
SCHEMBL13481730 0.89 MCL1 (0.42) P2RX3MCL1EPHX2GRM5UCHL1
SCHEMBL3862645 0.89 P2RX3 (0.47) P2RX3NR1H2NR1H3PTPN1MCL1
SCHEMBL12589812 0.89 MCL1 (0.42) P2RX3MCL1EPHX2GRM5UCHL1
SCHEMBL29523919 0.88 NR1H2 (0.47) P2RX3NR1H2NR1H3PTPN1MCL1
SCHEMBL30530834 0.88 NR1H2 (0.47) P2RX3NR1H2NR1H3PTPN1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 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
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
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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 EP 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
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-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH GABRB2, GABRB3, GABRB1 P2RX3 795/4885NR1H2 1060/4885NR1H3 1242/4885
US-20040180958-A1 Method of treatment BPHL, ADRA2B, ADRB2 P2RX3 1863/4885NR1H2 304/4885NR1H3 358/4885
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 P2RX3 260/4885NR1H2 3851/4885NR1H3 3762/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 P2RX3 22/4885NR1H2 422/4885NR1H3 460/4885

“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.