SCHEMBL4635535

SCHEMBL4635535

FC(F)(F)c1cccc(COC2CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.54
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
NAAA Q02083 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A9 P48067 1/20 0.47
IDO1 P14902 2/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
DRD4 P21917 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
DRD3 P35462 1/20 0.44

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
SCHEMBL5982767 0.88 SLC6A4 (0.46) TACR1SLC6A4SLC6A9CACNA2D1CACNA1B
SCHEMBL4636695 0.86 NAAA (0.53) TACR1CARM1PRMT6NAAACACNA2D1
SCHEMBL1768861 0.83 CTSL (0.55) TACR1CARM1PRMT6NAAASIGMAR1
SCHEMBL26221766 0.79 CARM1 (0.61) TACR1CARM1PRMT6NAAASLC6A4
SCHEMBL5998245 0.79 TACR1 (0.58) TACR1CARM1PRMT6SLC6A4IDO1
SCHEMBL72584 0.79 SLC6A2 (0.50) SLC6A4SLC6A9MGLLCACNA2D1CACNA1B
SCHEMBL31381217 0.78 MGLL (0.57) CARM1PRMT6NAAAIDO1MGLL
SCHEMBL12321049 0.77 ACHE (0.45) SLC6A4SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL4635725 0.77 NAAA (0.50) TACR1CARM1PRMT6NAAACACNA2D1
SCHEMBL4636128 0.77 SLC6A9 (0.50) TACR1SLC6A4SLC6A9IDO1CACNA2D1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617839-B1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RES LTD (GB) 2008-06-18 EP disclosed
US-20060276452-A1 Use of azetidinecarboxamide derivatives in therapy VERNALIS RESEARCH LIMITED (GB) 2006-12-07 US disclosed
CN-1780615-A Use of azetidinecarboxamide derivatives in therapy VERNALIS RES LTD (GB) 2006-05-31 CN disclosed
EP-1617839-A1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP disclosed
WO-2004096209-A1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed
EP-1049672-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RES LTD (GB) 2003-09-17 EP disclosed
EP-1212054-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2002-06-12 EP disclosed
US-6403574-B1 TRANQUILIZERS, ANTIEPILEPTIC, MUSCLE RELAXATION PRIOR TO SURGERY VERNALIS RESEARCH LIMITED (GB) 2002-06-11 US disclosed
WO-2001007023-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
EP-1049672-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037612-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO 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 (1 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-20060276452-A1 Use of azetidinecarboxamide derivatives in therapy CNR1, CNR2, GPR18 TACR1 76/4885CARM1 1976/4885PRMT6 1879/4885

“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.