SCHEMBL2473007

SCHEMBL2473007

COC(=O)[C@H]1CC[C@H](Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
EPHX2 P34913 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.48
ACSL1 P33121 1/20 0.47
ABHD6 Q9BV23 2/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 2/20 0.44
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2473009 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL2473912 0.88 TRPV1 (0.42) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL2473916 0.88 TRPV1 (0.42) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL28818844 0.85 ACSL1 (0.57) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL28818842 0.85 ACSL1 (0.57) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL2474545 0.84 TEAD1 (0.57) EPHX2KMT2AMAPTTDP1
SCHEMBL2474546 0.84 TEAD1 (0.57) EPHX2KMT2AMAPTTDP1
SCHEMBL2478056 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL2478059 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3EPHX2MEN1
SCHEMBL20858622 0.83 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 SLC6A2 1065/4885SLC6A4 887/4885SLC6A3 321/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 SLC6A2 1065/4885SLC6A4 887/4885SLC6A3 321/4885

“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.