SCHEMBL29776787

SCHEMBL29776787

CCCCOC(=O)N1CC2CCC1CN2Cc1c(-c2ccc(C(C)C)cc2)nc2ncccn12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.77
▸ KCNK9 Q9NPC2 20/20 0.77

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
SCHEMBL22636359 0.94 KCNK3 (0.73) KCNK3KCNK9
SCHEMBL25260063 0.92 KCNK3 (0.76) KCNK3KCNK9
SCHEMBL21826628 0.87 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL21826380 0.86 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL30417533 0.86 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL25299635 0.86 KCNK3 (0.77) KCNK3KCNK9
SCHEMBL29776792 0.82 KCNK3 (0.69) KCNK3KCNK9
SCHEMBL22635914 0.81 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL20590106 0.81 KCNK3 (0.88) KCNK3KCNK9
SCHEMBL21826661 0.81 KCNK3 (1.00) KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 — — US 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-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, CHRNA1 KCNK3 168/4885KCNK9 643/4885

“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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