SCHEMBL24183570

SCHEMBL24183570

C[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.74
▸ MAPK8 P45983 5/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ADRA1A P35348 6/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 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
SCHEMBL29787281 1.00 ADRA2C (0.74) ADRA2CMAPK8HRH3ADRA1AITGB3
SCHEMBL24183626 0.99 ADRA2C (0.73) ADRA2CMAPK8HRH3ADRA1AITGB3
SCHEMBL29787296 0.99 ADRA2C (0.73) ADRA2CMAPK8HRH3ADRA1AITGB3
SCHEMBL29787325 0.97 ADRA2C (0.71) ADRA2CMAPK8HRH3ADRA1AITGB3
SCHEMBL24183431 0.97 ADRA2C (0.71) ADRA2CMAPK8HRH3ADRA1AITGB3
SCHEMBL24183456 0.93 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL30397889 0.93 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL25436996 0.93 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL25438064 0.93 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL29787273 0.93 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 — — CN claimed
US-20240000767-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2024-01-04 — — US disclosed
WO-2023118123-A1 COMBINATION OF AN Α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
WO-2023118098-A1 COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 — — CN disclosed
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
CN-114929694-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2022-08-19 — — CN disclosed
WO-2022008426-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-01-13 — — 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 (2 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-20240000767-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, CHRNA2 ADRA2C 1/4885MAPK8 4371/4885HRH3 98/4885
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 ADRA2C, ADRB2, ADRB3 ADRA2C 1/4885MAPK8 1728/4885HRH3 55/4885

“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.

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