SCHEMBL20587394

SCHEMBL20587394

O=C1CC2CCC(CN2C(=O)OCc2ccccc2)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL928745 0.90 SMN1; SMN2 (0.47) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL22001576 0.81 AGTR2 (0.47) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL15409979 0.76 HTR2C (0.51) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL286830 0.76 HTR2C (0.51) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL22001466 0.76 ALDH1A1 (0.36) CYP2C19
SCHEMBL928026 0.76 SMN1; SMN2 (0.46) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14218351 0.75 HTR2C (0.47) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7405709 0.75 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL34474262 0.75 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22778699 0.75 AGTR2 (0.50) AGTR2PSEN1PSEN2APH1BNCSTN

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 AGTR2 2102/4885PSEN1 94/4885PSEN2 640/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 AGTR2 1892/4885PSEN1 84/4885PSEN2 568/4885

“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.