SCHEMBL3149632

SCHEMBL3149632

C#CC(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHKA P35790 1/20 0.46
SIGMAR1 Q99720 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPX4 P36969 1/20 0.39
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33

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
SCHEMBL2848691 0.78 CA2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3378405 0.77
SCHEMBL30879571 0.76 CA2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24438361 0.75 ALDH1A1 (0.48) CA2CHKAGPX4POLBHPGD
SCHEMBL8432009 0.75 ALDH1A1 (0.48) CA2CHKAGPX4POLBHPGD
SCHEMBL9054154 0.73 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4551143 0.73 CA2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20746609 0.71 GPX4 (0.42) GPX4
SCHEMBL9532761 0.71 GPX4 (0.39) GPX4
SCHEMBL4550633 0.71 CYP1A2 (0.52) GPX4HSD11B1POLBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP claimed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO claimed
WO-2023192817-A9 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2024-10-03 WO disclosed
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO disclosed
WO-1996040753-A1 PIPECOLIC ACID DERIVATIVES OF PROLINE THREONINE AMIDES USEFUL FOR THE TREATMENT OF RHEUMATOID ARTHRITIS G.D. SEARLE & CO. (US) 1996-12-19 WO disclosed
EP-0536169-B1 [3H,7H]THIAZOLO [3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1995-04-05 EP disclosed
US-5336676-A [3H,7H]thiazolo[3,4-a]pyridines with antiasthmatic and antiinflammatory actions on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-08-09 US disclosed
EP-0536169-A1 3H,7H]THIAZOLO 3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT. BOEHRINGER MANNHEIM ITALIA (IT) 1993-04-14 EP disclosed
WO-1991018906-A1 [3H,7H]THIAZOLO[3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-12-12 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 (3 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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA CHRNB2 4131/4885CHRNA3 2969/4885CHRNA4 3724/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA CHRNB2 4131/4885CHRNA3 2969/4885CHRNA4 3724/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 CHRNB2 175/4885CHRNA3 124/4885CHRNA4 150/4885

“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.