SCHEMBL20587387

SCHEMBL20587387

COc1ccc(F)c(C(=O)N2C3CCNCC2CC3)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 16/20 0.46
KCNK9 Q9NPC2 16/20 0.46
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL30359095 1.00 KCNK3 (0.46) KCNK3KCNK9HCRTR1HCRTR2SLC6A2
SCHEMBL30359131 0.93 KCNK3 (0.47) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL30359037 0.89 KCNK3 (0.41) KCNK3KCNK9HCRTR1HCRTR2SLC6A2
SCHEMBL20587778 0.89 KCNK3 (0.49) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL21904724 0.86 KCNK3 (0.45) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL30359053 0.83 KCNK3 (0.42) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL30359111 0.82 HTR2A (0.41) KCNK3KCNK9HCRTR1HCRTR2
SCHEMBL22001648 0.79 KCNK3 (0.45) KCNK3KCNK9
SCHEMBL30359062 0.79 KCNK3 (0.48) KCNK3KCNK9
SCHEMBL22001448 0.78 KCNK3 (0.51) 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 6 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-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
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
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 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-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 KCNK3 117/4885KCNK9 725/4885HCRTR1 224/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 KCNK3 135/4885KCNK9 793/4885HCRTR1 206/4885

“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.