SCHEMBL2469600

SCHEMBL2469600

COC(=O)C1CCC(Oc2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
AVPR1A P37288 5/20 0.43
IP6K1 Q92551 1/20 0.42
TNKS O95271 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
PARP1 P09874 1/20 0.41
KDM5A P29375 1/20 0.41
SCN9A Q15858 1/20 0.41
KCNMA1 Q12791 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DGAT1 O75907 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30356808 1.00 EPHX2 (0.47) EPHX2ALDH1A1HCRTR1HCRTR2AVPR1A
SCHEMBL2474542 1.00 EPHX2 (0.47) EPHX2ALDH1A1HCRTR1HCRTR2AVPR1A
SCHEMBL2469597 1.00 EPHX2 (0.47) EPHX2ALDH1A1HCRTR1HCRTR2AVPR1A
SCHEMBL17869062 0.86 CYP2C19 (0.48) ALDH1A1HCRTR1HCRTR2KDM4EDGAT1
SCHEMBL32668750 0.86 CYP2C19 (0.48) ALDH1A1HCRTR1HCRTR2KDM4EDGAT1
SCHEMBL16802231 0.84 EPHX2 (0.48) EPHX2ALDH1A1HCRTR1HCRTR2AVPR1A
SCHEMBL16802089 0.84 EPHX2 (0.50) EPHX2HCRTR1HCRTR2AVPR1ATNKS
SCHEMBL16800078 0.84 EPHX2 (0.50) EPHX2HCRTR1HCRTR2AVPR1ATNKS
SCHEMBL16800079 0.84 EPHX2 (0.50) EPHX2HCRTR1HCRTR2AVPR1ATNKS
SCHEMBL21547715 0.83 SMN1; SMN2 (0.44) EPHX2ALDH1A1HCRTR1HCRTR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185570-B1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2024-10-09 EP disclosed
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
EP-4185570-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
EP-2760871-B1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-8828989-B2 Oxy-cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[E]azulenes as V1A antagonists HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2760871-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
EP-2370441-B1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-09-11 EP disclosed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
WO-2013045373-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 US disclosed
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 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 (4 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 EPHX2 4328/4885ALDH1A1 3130/4885HCRTR1 6/4885
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS AVPR1A, AVPR1B, ADRA2A EPHX2 2119/4885ALDH1A1 923/4885HCRTR1 239/4885
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885ALDH1A1 239/4885HCRTR1 72/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885ALDH1A1 239/4885HCRTR1 72/4885

“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.