SCHEMBL20587395

SCHEMBL20587395

O=C(OCc1ccccc1)N1CC2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.48
HSD11B1 P28845 1/20 0.46
S1PR5 Q9H228 2/20 0.45
OPRM1 P35372 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL2959552 0.90 HSD11B1 (0.46) HSD11B1S1PR5OPRM1S1PR1
SCHEMBL3237901 0.83 HSD11B1 (0.44) HSD11B1S1PR5OPRM1S1PR1
SCHEMBL22778699 0.83 AGTR2 (0.50) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20587819 0.79 HTR2C (0.54) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2282075 0.79 HTR2C (0.52) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22001684 0.78 AGTR2 (0.47) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22001902 0.78 AGTR2 (0.47) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30793590 0.76 SMN1; SMN2 (0.48) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22958177 0.76 SMN1; SMN2 (0.48) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30793726 0.76 SMN1; SMN2 (0.48) AGTR2SMN1; SMN2NPC1RAB9ACYP2C19

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 2102/4885HSD11B1 445/4885S1PR5 1416/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 AGTR2 1892/4885HSD11B1 441/4885S1PR5 1352/4885

“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.