SCHEMBL9557396

SCHEMBL9557396

c1cnc(C2CCNCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HRH4 Q9H3N8 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
RPS6KA3 P51812 1/20 0.37
GSK3B P49841 2/20 0.36
DYRK1A Q13627 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PLAT P00750 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL29891608 1.00 HRH3 (0.44) HRH3HRH4MKNK1MKNK2NISCH
Hydrochloric Acid SCHEMBL20744274 0.98 HRH3 (0.43) HRH3HRH4MKNK1MKNK2NISCH
SCHEMBL8271401 0.89 CHEK1 (0.41) HRH3MKNK1MKNK2NISCHGSK3B
SCHEMBL3954850 0.89 CHEK1 (0.41) HRH3MKNK1MKNK2NISCHGSK3B
SCHEMBL19116619 0.89 CHEK1 (0.41) HRH3MKNK1MKNK2NISCHGSK3B
SCHEMBL29889443 0.89 CHEK1 (0.41) HRH3MKNK1MKNK2NISCHGSK3B
Hydrochloric Acid SCHEMBL1024512 0.87 CHEK1 (0.41) HRH3MKNK1MKNK2NISCH
SCHEMBL14250161 0.85
SCHEMBL30339210 0.85
SCHEMBL20995461 0.81 CYP11B2 (0.44) NISCH

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
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US claimed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 EP claimed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO claimed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP claimed
US-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2025-11-25 US disclosed
US-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-06-04 US disclosed
CN-112566637-B GLP-1 receptor agonists and uses thereof 辉瑞公司 2023-11-14 CN disclosed
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 US disclosed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
EP-4065574-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 EP disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0371390-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1990-06-06 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 (6 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 HRH3 14/4885HRH4 10/4885MKNK1 1741/4885
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH3 411/4885HRH4 362/4885MKNK1 472/4885
US-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DGKK, DGKG, DGKA HRH3 411/4885HRH4 362/4885MKNK1 472/4885
US-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation DGKK, DGKG, DGKA HRH3 411/4885HRH4 362/4885MKNK1 472/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 HRH3 1414/4885HRH4 781/4885MKNK1 663/4885
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH3 411/4885HRH4 362/4885MKNK1 472/4885

“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.