SCHEMBL5240004

SCHEMBL5240004

CCC(O)c1coc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAOB P27338 7/20 0.43
HSD17B2 P37059 1/20 0.40
PSMB5 P28074 2/20 0.38
PSMB8 P28062 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
ABCB1 P08183 2/20 0.36
PTPN1 P18031 1/20 0.36
MAOA P21397 1/20 0.36
CYP2C9 P11712 1/20 0.36
CMA1 P23946 1/20 0.35

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
SCHEMBL23627355 0.82 MAOB (0.43) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL14270019 0.79 TSHR (0.47) LMNAMAOBHSD17B2PSMB5PSMB8
SCHEMBL2960730 0.79 MAOB (0.43) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL28392768 0.79 MAOB (0.43) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL28394138 0.79 MAOB (0.43) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL29756135 0.78 MAOB (0.40) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL4139411 0.76 MAOB (0.45) MAOBHSD17B2PSMB5PSMB8CYP2C9
SCHEMBL4146586 0.75 MAOB (0.44) MAOBHSD17B2PSMB5PSMB8CA2
SCHEMBL24898027 0.75 MAOB (0.43) LMNAMAOBHSD17B2PSMB5PSMB8
SCHEMBL4152831 0.74 MAOB (0.47) MAOBHSD17B2PSMB5PSMB8CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP disclosed
EP-1537122-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES Wyeth (US) 2005-06-08 EP disclosed
US-6800637-B2 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-10-05 US disclosed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 US disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH LMNA 949/4885MAOB 59/4885HSD17B2 29/4885

“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.