SCHEMBL20186613

SCHEMBL20186613

O=C(O)N1CCC2CCC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.53
CHRNA3 P32297 20/20 0.53
CHRNA4 P43681 20/20 0.53
CHRNB3 Q05901 20/20 0.53
CHRNA6 Q15825 20/20 0.53

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
SCHEMBL20186616 1.00 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19948600 0.87 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1404444 0.87 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL5965871 0.85 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL7006653 0.83 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13478860 0.82 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20590001 0.81 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1588528 0.78 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30260009 0.78 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30259987 0.78 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 9 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
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP 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
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (4 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D CHRNB2 1412/4885CHRNA3 855/4885CHRNA4 1122/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CHRNB2 1412/4885CHRNA3 855/4885CHRNA4 1122/4885
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 CHRNB2 356/4885CHRNA3 14/4885CHRNA4 179/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 CHRNB2 276/4885CHRNA3 9/4885CHRNA4 148/4885

“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.