SCHEMBL883979

SCHEMBL883979

CCOC(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.53
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD11B1 P28845 1/20 0.41
DRD2 P14416 1/20 0.40
EPHX2 P34913 1/20 0.39
SMYD3 Q9H7B4 4/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL10337608 0.98 EPHX1 (0.52) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL2426353 0.89 KCNH2 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL14224181 0.89 KCNH2 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL14224187 0.89 KCNH2 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
Trifluoroacetic Acid SCHEMBL23778379 0.89 EPHX1 (0.43) EPHX1GNAI3GNAO1GNAI1POLB
Hydrochloric Acid SCHEMBL28954175 0.88 KCNH2 (0.46) EPHX1GNAI3GNAO1GNAI1POLB
Hydrochloric Acid SCHEMBL17560365 0.88 KCNH2 (0.46) EPHX1GNAI3GNAO1GNAI1POLB
Hydrochloric Acid SCHEMBL17560364 0.88 KCNH2 (0.46) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL18380884 0.86 SMYD3 (0.47) EPHX1NFKB1NFKB2RELAHSD11B1
SCHEMBL7788916 0.86 SMYD3 (0.47) EPHX1NFKB1NFKB2RELAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027119-A2 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-02-25 EP claimed
WO-2007136680-A2 3-PYRAZ0LYL-BENZAMIDE-4-ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 EP claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed
US-4918073-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
EP-0229623-A2 Diaryl-substituted alkylamines, procedure for their preparation, their application and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 EPHX1 3605/4885GNAI3 874/4885GNAO1 1535/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 EPHX1 3532/4885GNAI3 826/4885GNAO1 1432/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X EPHX1 3921/4885GNAI3 798/4885GNAO1 2376/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 EPHX1 3823/4885GNAI3 753/4885GNAO1 1613/4885

“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.