SCHEMBL29787312

SCHEMBL29787312

O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCC[C@@H](COCC(F)(F)F)C3)CC2)s1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.79
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TMPRSS15 P98073 2/20 0.35
▸ MAPK8 P45983 5/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ACKR3 P25106 2/20 0.34

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
SCHEMBL29787277 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183645 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL30398367 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL25437600 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787323 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL25425779 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183463 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787254 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183636 0.91 ADRA2C (0.74) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787289 0.91 ADRA2C (0.74) ADRA2CHRH3TMPRSS15MAPK8ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452245-A1 COMBINATION OF AN ALPHA 2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP 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
EP-4175954-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) 2023-05-10 — — EP 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
EP-4021905-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 Bayer Aktiengesellschaft (DE) 2022-07-06 — — 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 (1 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-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 ADRA2C, ADRB2, ADRB3 ADRA2C 1/4885HRH3 55/4885TMPRSS15 801/4885

“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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