SCHEMBL3076478

SCHEMBL3076478

c1ccc(CN2C3CCNCC2COC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LTA4H P09960 1/20 0.37
MEN1 O00255 2/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ROCK2 O75116 1/20 0.36
ARHGDIA P52565 1/20 0.36
ROCK1 Q13464 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL3082036 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL3083479 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL3311708 0.89 CHRM2 (0.54) CHRM2CHRM4CHRM5LMNASIGMAR1
Hydrochloric Acid SCHEMBL3931307 0.88 CHRM2 (0.57) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL1988535 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5SIGMAR1GBA1
SCHEMBL3718240 0.84 CHRM2 (0.55) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL9749461 0.83 CHRM2 (0.56) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL1988057 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL637410 0.81 CHRM2 (0.51) CHRM2CHRM4CHRM5LMNASIGMAR1
SCHEMBL636999 0.81 CHRM2 (0.58) CHRM2CHRM4CHRM5LMNASIGMAR1

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 13 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
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
WO-2008143856-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-11-27 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 (3 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 CHRM2 576/4885CHRM4 295/4885CHRM5 614/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 CHRM2 506/4885CHRM4 255/4885CHRM5 572/4885
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CHRM2 700/4885CHRM4 364/4885CHRM5 396/4885

“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.