SCHEMBL2474293

SCHEMBL2474293

COC(=O)[C@H]1CC[C@H](Oc2cc(F)cc(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.48
ACACB O00763 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
DGAT1 O75907 6/20 0.38
SOAT1 P35610 4/20 0.38
ATR Q13535 1/20 0.36
PKM P14618 1/20 0.36
GRM5 P41594 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL2474297 1.00 EPHX2 (0.48) EPHX2ACACBFFAR4DGAT1SOAT1
SCHEMBL21863862 0.90 EPHX2 (0.41) EPHX2ACACBFFAR4DGAT1SOAT1
SCHEMBL20616396 0.90 EPHX2 (0.41) EPHX2ACACBFFAR4DGAT1SOAT1
SCHEMBL20616140 0.90 EPHX2 (0.41) EPHX2ACACBFFAR4DGAT1SOAT1
SCHEMBL21222266 0.86 EPHX2 (0.43) EPHX2FFAR4GRIN1GRIN2B
SCHEMBL20064207 0.86 EPHX2 (0.43) EPHX2FFAR4GRIN1GRIN2B
SCHEMBL2471998 0.84 EPHX2 (0.56) EPHX2DGAT1SOAT1
SCHEMBL2471996 0.84 EPHX2 (0.56) EPHX2DGAT1SOAT1
SCHEMBL2477545 0.80 EPHX2 (0.47) EPHX2ACACBFFAR4DGAT1GRIN1
SCHEMBL2477548 0.80 EPHX2 (0.47) EPHX2ACACBFFAR4DGAT1GRIN1

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 EPHX2 3294/4885ACACB 3632/4885FFAR4 1747/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885ACACB 3632/4885FFAR4 1747/4885

“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.