SCHEMBL15913749

SCHEMBL15913749

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
HTR2A P28223 9/20 0.46
HTR7 P34969 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HTR1A P08908 7/20 0.43
HIF1A Q16665 2/20 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
SCHEMBL7713891 1.00 DRD2 (0.46) DRD2HTR2AHTR7NPC1RAB9A
SCHEMBL23175425 0.86 DRD2 (0.46) DRD2HTR2AHTR7HTR1A
SCHEMBL14844353 0.83 DRD2 (0.45) DRD2HTR2AHTR7HTR1AHIF1A
SCHEMBL7712271 0.83 DRD2 (0.43) DRD2HTR2AHTR7NPC1RAB9A
SCHEMBL14844437 0.83 DRD2 (0.43) DRD2HTR2AHTR7NPC1RAB9A
SCHEMBL14853326 0.83 DRD2 (0.45) DRD2HTR2AHTR7HTR1AHIF1A
SCHEMBL17180607 0.81 ACHE (0.56) DRD2HTR2AHTR7
SCHEMBL12026856 0.78 HIF1A (0.49) DRD2HTR2AHTR7HTR1AHIF1A
SCHEMBL3263185 0.76 DRD2 (0.44) DRD2HTR2AHTR7HTR1A
SCHEMBL10637150 0.76 DRD2 (0.50) 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 3 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
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-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

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.