SCHEMBL22001468

SCHEMBL22001468

Clc1ccc(-c2nc3ccccn3c2CN2CC3CCC2CCN3)nc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 17/20 0.60
▸ KCNK9 Q9NPC2 17/20 0.60
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39

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
SCHEMBL19807606 0.93 KCNK3 (0.59) KCNK3KCNK9KDM4EGAASLC2A1
Trifluoroacetic Acid SCHEMBL20587448 0.92 KCNK3 (0.60) KCNK3KCNK9
Hydrochloric Acid SCHEMBL31448504 0.92 KCNK3 (0.59) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22001471 0.87 KCNK3 (0.58) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL19807471 0.82 KCNK3 (0.62) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22916250 0.81 KCNK3 (0.53) KCNK3KCNK9KDM4EGAASLC2A1
Hydrochloric Acid SCHEMBL31448337 0.80 KCNK3 (0.52) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL19807496 0.80 KCNK3 (0.62) KCNK3KCNK9
SCHEMBL22635923 0.80 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL25425858 0.79 KCNK3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 — — US disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 — — 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 (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-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 KCNK3 117/4885KCNK9 725/4885KDM4E 1380/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 KCNK3 135/4885KCNK9 793/4885KDM4E 1415/4885

“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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