SCHEMBL2474545

SCHEMBL2474545

COC(=O)[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.57
EPHX2 P34913 7/20 0.53
LIPE Q05469 1/20 0.46
MMP2 P08253 4/20 0.45
MMP13 P45452 4/20 0.45
ADRB2 P07550 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.42
ACACB O00763 1/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
KMT2A Q03164 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL2474546 1.00 TEAD1 (0.57) TEAD1EPHX2LIPEMMP2MMP13
SCHEMBL2473007 0.84 SLC6A2 (0.52) EPHX2MAPTTDP1KMT2A
SCHEMBL2473009 0.84 SLC6A2 (0.52) EPHX2MAPTTDP1KMT2A
SCHEMBL28011403 0.84 TEAD1 (0.58) TEAD1EPHX2LIPEMMP2MMP13
SCHEMBL2471996 0.84 EPHX2 (0.56) EPHX2FAAH
SCHEMBL2471998 0.84 EPHX2 (0.56) EPHX2FAAH
SCHEMBL28011405 0.84 TEAD1 (0.58) TEAD1EPHX2LIPEMMP2MMP13
SCHEMBL2475556 0.82 TEAD1 (0.56) TEAD1EPHX2LIPEMMP2MMP13
SCHEMBL2475553 0.82 TEAD1 (0.56) TEAD1EPHX2LIPEMMP2MMP13
SCHEMBL29090107 0.81 TEAD1 (0.59) TEAD1EPHX2LIPEMMP2MMP13

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 TEAD1 2450/4885EPHX2 3294/4885LIPE 1313/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 TEAD1 2450/4885EPHX2 3294/4885LIPE 1313/4885

“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.