SCHEMBL2474986

SCHEMBL2474986

Cc1ccccc1OC1CCC(C(=O)NN)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
POLB P06746 1/20 0.40
P2RX7 Q99572 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 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
SCHEMBL2474983 1.00 EPHX2 (0.46) EPHX2KMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL2473606 0.83 LPAR1 (0.50) SLC6A2SLC6A3KAT2BBAZ2BPOLB
SCHEMBL2473607 0.83 LPAR1 (0.50) SLC6A2SLC6A3KAT2BBAZ2BPOLB
SCHEMBL2469475 0.82 EPHX2 (0.47) EPHX2KMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL2469471 0.82 EPHX2 (0.47) EPHX2KMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL2477604 0.81 MEN1 (0.54) KMT2AGAAMEN1HPGD
SCHEMBL3331589 0.81 MEN1 (0.54) KMT2AGAAMEN1HPGD
SCHEMBL2474743 0.80 EPHX2 (0.44) EPHX2KMT2AGAAHPGDSMN1; SMN2
SCHEMBL2474740 0.80 EPHX2 (0.44) EPHX2KMT2AGAAHPGDSMN1; SMN2
SCHEMBL10035281 0.79 SLC6A2 (0.51) EPHX2SLC6A2SLC6A3SLC6A4SCD

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 3294/4885KMT2A 2850/4885SLC6A2 1065/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885KMT2A 2850/4885SLC6A2 1065/4885

“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.