SCHEMBL2474271

SCHEMBL2474271

COC(=O)[C@H]1CC[C@H](Oc2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ABL1 P00519 2/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
FAAH O00519 1/20 0.44
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ACSL1 P33121 3/20 0.44
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
ACSL3 O95573 1/20 0.43
ACSL6 Q9UKU0 1/20 0.43
MTNR1A P48039 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
SCHEMBL2474274 1.00 L3MBTL1 (0.55) L3MBTL1ABL1PDGFRBPDGFRAFAAH
SCHEMBL2469594 0.83 ALDH1A1 (0.49) FAAHHPGDRAB9AACSL1SLC6A3
SCHEMBL2473042 0.83 ALDH1A1 (0.49) FAAHHPGDRAB9AACSL1SLC6A3
SCHEMBL2469592 0.83 ALDH1A1 (0.49) FAAHHPGDRAB9AACSL1SLC6A3
SCHEMBL2478658 0.82 ABL1 (0.52) L3MBTL1ABL1FAAHEPHX1HPGD
SCHEMBL2478657 0.82 ABL1 (0.52) L3MBTL1ABL1FAAHEPHX1HPGD
SCHEMBL2472743 0.81 SLC6A2 (0.51) SLC6A4SLC6A3MTNR1A
SCHEMBL2472739 0.81 SLC6A2 (0.51) SLC6A4SLC6A3MTNR1A
SCHEMBL30477858 0.81 CYP1A2 (0.50) L3MBTL1FAAHEPHX1HPGDHTT
SCHEMBL16902878 0.81 CYP1A2 (0.50) L3MBTL1FAAHEPHX1HPGDHTT

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 L3MBTL1 3986/4885ABL1 1633/4885PDGFRB 309/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 L3MBTL1 3986/4885ABL1 1633/4885PDGFRB 309/4885

“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.