SCHEMBL2543970

SCHEMBL2543970

COC(=O)C1CCC(C(=O)c2ccccc2SCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
PTPRG P23470 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
SCHEMBL2543968 1.00 KMT2A (0.52) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL2542315 0.86 L3MBTL1 (0.41) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL2542310 0.86 L3MBTL1 (0.41) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL28026658 0.85 KMT2A (0.52) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL28026661 0.85 KMT2A (0.52) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL2538269 0.82 L3MBTL1 (0.47) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL2538266 0.82 L3MBTL1 (0.47) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL8628655 0.77 POLB (0.65) KMT2AL3MBTL1MEN1ALDH1A1NPSR1
SCHEMBL21678168 0.76 STS (0.57) KMT2AMEN1MAPTHTTKDM4E
Benzyl Alcohol SCHEMBL27670531 0.73 ALDH1A1 (0.57) L3MBTL1ALDH1A1NPSR1MAPTHSD17B10

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 10 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
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 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-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 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-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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 (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-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists AVPR1A, AVPR1B, OXTR KMT2A 2601/4885L3MBTL1 4321/4885MEN1 2311/4885
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 KMT2A 3903/4885L3MBTL1 4016/4885MEN1 1623/4885

“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.