SCHEMBL14844437

SCHEMBL14844437

NNC(=O)[C@H]1CC[C@H](c2noc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
HTR2A P28223 7/20 0.43
HTR7 P34969 2/20 0.43
HIF1A Q16665 1/20 0.42
HTR1A P08908 5/20 0.41
SCD O00767 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7712271 1.00 DRD2 (0.43) DRD2HTR2AHTR7HIF1AHTR1A
SCHEMBL7713891 0.83 DRD2 (0.46) DRD2HTR2AHTR7HIF1AHTR1A
SCHEMBL15913749 0.83 DRD2 (0.46) DRD2HTR2AHTR7HIF1AHTR1A
SCHEMBL2538094 0.83 SCD (0.59) HTR2AHTR7HTR1ASCDLMNA
SCHEMBL2537153 0.83 HTR2A (0.52) DRD2HTR2AHTR7SCD
SCHEMBL2537150 0.83 HTR2A (0.52) DRD2HTR2AHTR7SCD
SCHEMBL2538098 0.83 SCD (0.59) HTR2AHTR7HTR1ASCDLMNA
SCHEMBL14853326 0.82 DRD2 (0.45) DRD2HTR2AHTR7HIF1AHTR1A
SCHEMBL14844353 0.82 DRD2 (0.45) DRD2HTR2AHTR7HIF1AHTR1A
SCHEMBL23175425 0.81 DRD2 (0.46) DRD2HTR2AHTR7HTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763997-B1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
EP-2763997-B1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
EP-2763997-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
WO-2013050334-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050334-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 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 (1 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-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists AVPR1A, AVPR1B, OXTR DRD2 95/4885HTR2A 24/4885HTR7 108/4885

“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.