SCHEMBL2473263

SCHEMBL2473263

COC(=O)C1CCC(Oc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.51
LPAR5 Q9H1C0 2/20 0.51
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
PDE4D Q08499 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
KAT2B Q92831 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2473260 1.00 LPAR1 (0.51) LPAR1LPAR5HTR1ASLC6A2SLC6A3
SCHEMBL10148356 0.86 LPAR1 (0.52) LPAR1LPAR5HPGDALDH1A1GAA
SCHEMBL16507018 0.86 LPAR1 (0.52) LPAR1LPAR5HPGDALDH1A1GAA
SCHEMBL2469475 0.84 EPHX2 (0.47) LPAR1LPAR5SLC6A2SLC6A3PDE4D
SCHEMBL2469471 0.84 EPHX2 (0.47) LPAR1LPAR5SLC6A2SLC6A3PDE4D
SCHEMBL10148355 0.83 LPAR1 (0.57) LPAR1LPAR5HTR1ASLC6A2SLC6A3
SCHEMBL16506413 0.83 LPAR1 (0.57) LPAR1LPAR5HTR1ASLC6A2SLC6A3
SCHEMBL2473606 0.81 LPAR1 (0.50) LPAR1LPAR5HTR1ASLC6A2SLC6A3
SCHEMBL10174501 0.81 SMN1; SMN2 (0.45) LPAR1LPAR5SLC6A2HPGDALDH1A1
SCHEMBL2473607 0.81 LPAR1 (0.50) LPAR1LPAR5HTR1ASLC6A2SLC6A3

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 LPAR1 1084/4885LPAR5 719/4885HTR1A 27/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 LPAR1 1084/4885LPAR5 719/4885HTR1A 27/4885

“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.