SCHEMBL14693705

SCHEMBL14693705

CCOC(=O)C1CC=C([B-](F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 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
Potassium Ion SCHEMBL2520104 0.99 ALOX15 (0.44) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL2122977 0.83 TSHR (0.48) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL2431486 0.80 LMNA (0.51) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL31601392 0.80 LMNA (0.51) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL12519547 0.78 ALOX15 (0.49) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL23091547 0.77 TSHR (0.48) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL20562726 0.77 ALOX15 (0.57) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL4441405 0.77 TSHR (0.48) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL11337020 0.77 TSHR (0.48) ALOX15TSHRMAPK1MAPTKDM4E
SCHEMBL12159820 0.77 ALOX15 (0.45) ALOX15TSHRMAPK1MAPTKDM4E

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 14 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-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 — — 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
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 — — EP disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 — — EP 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-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 — — US disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 — — 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
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 — — EP disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 — — EP disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP 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 ALOX15 1196/4885TSHR 152/4885MAPK1 4189/4885

“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.

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