SCHEMBL2043231

SCHEMBL2043231

C=CCC1CCCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
CCR2 P41597 2/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PRSS1 P07477 2/20 0.34
CTRC Q99895 2/20 0.34
F2 P00734 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5182489 0.94 CCR2 (0.43) NOS1NOS2CCR2ALDH1A1PRSS1
SCHEMBL6979497 0.93 CCR2 (0.43) NOS1NOS2CCR2ALDH1A1PRSS1
SCHEMBL4953822 0.93 CCR2 (0.43) NOS1NOS2CCR2ALDH1A1PRSS1
SCHEMBL530980 0.88
SCHEMBL13378344 0.88
SCHEMBL20980166 0.78 NOS1 (0.41) NOS1NOS2
SCHEMBL9120801 0.78 L3MBTL1 (0.34) ALDH1A1L3MBTL1KDM4EHTT
SCHEMBL28049436 0.78
SCHEMBL24754580 0.74
SCHEMBL10210464 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731623-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC Therapeutics, Inc. (US) 2026-04-29 EP disclosed
WO-2025006078-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
EP-2846798-B1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9227972-B2 Aliphatic spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-07-23 US disclosed
EP-2855545-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care Inc. (US) 2015-04-08 EP disclosed
EP-2846798-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
EP-2167499-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155069-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155069-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 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 (5 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885CCR2 3711/4885
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, OPRL1 NOS1 2074/4885NOS2 2111/4885CCR2 119/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 NOS1 3134/4885NOS2 2812/4885CCR2 3088/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NOS1 3271/4885NOS2 3346/4885CCR2 1588/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885CCR2 3028/4885

“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.