SCHEMBL5017789

SCHEMBL5017789

COc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 1.00
SLC6A5 Q9Y345 10/20 0.79
L3MBTL1 Q9Y468 1/20 0.62
HTR2A P28223 2/20 0.61
P2RX3 P56373 1/20 0.60
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL5017983 0.90 TP53 (0.81) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5022323 0.88 SLC6A5 (1.00) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5018000 0.88 TP53 (0.79) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL2292348 0.87 TP53 (0.77) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5015969 0.87 SLC6A5 (1.00) TP53SLC6A5HTR2AP2RX3OPRM1
SCHEMBL5015981 0.86 SLC6A5 (1.00) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5025990 0.86 TP53 (0.75) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5017350 0.86 TP53 (0.75) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5024488 0.85 TP53 (0.74) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL5022643 0.85 SLC6A5 (1.00) TP53SLC6A5L3MBTL1HTR2AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419138-B1 N- (1-DIMETHYLAMINOCYCLOALKYL)METHYL BENZAMIDE DERIVATIVES ORGANON NV (NL) 2008-10-29 EP disclosed
US-7126027-B2 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives AKZO NOBEL N.V. (NL) 2006-10-24 US disclosed
US-20040242685-A1 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives N.V. ORGANON (NL) 2004-12-02 US disclosed
EP-1419138-A1 N- (1-DIMETHYLAMINOCYCLOALKYL)METHYL]BENZAMIDE DERIVATIVES Akzo Nobel (NL) 2004-05-19 EP disclosed
WO-2003010132-A1 N-[(1-DIMETHYLAMINOCYCLOALKYL)METHYL]BENZAMIDE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-02-06 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-20040242685-A1 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives SLC1A2, SLC6A1, KCNT2 TP53 4820/4885SLC6A5 26/4885L3MBTL1 1004/4885

“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.