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SCHEMBL5022643

SCHEMBL5022643

COc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 10/20 1.00
▸ TP53 P04637 3/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HTR2A P28223 2/20 0.56
▸ P2RX3 P56373 1/20 0.56
▸ LMNA P02545 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50

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
SCHEMBL5017542 0.99 SLC6A5 (1.00) SLC6A5TP53L3MBTL1HTR2AP2RX3
Hydrochloric Acid SCHEMBL26654518 0.98 SLC6A5 (1.00) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL6013403 0.93 SLC6A5 (0.89) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL16233163 0.90 SLC6A5 (0.83) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL16233251 0.90 SLC6A5 (0.83) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL5016040 0.90 SLC6A5 (0.83) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL5017980 0.89 SLC6A5 (0.81) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL5015906 0.89 SLC6A5 (0.81) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL16233255 0.88 SLC6A5 (0.80) SLC6A5TP53L3MBTL1HTR2AP2RX3
SCHEMBL16233159 0.88 SLC6A5 (0.78) SLC6A5TP53L3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359346-B2 Benzamide derivative and use thereof VIVOZON, INC. (KR) 2016-06-07 — — US disclosed
US-9359346-B2 Benzamide derivative and use thereof VIVOZON, INC. (KR) 2016-06-07 — — US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 — — US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 — — US disclosed
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 (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-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF TRPV1, TRPA1, TRPV5 SLC6A5 1714/4885TP53 4562/4885L3MBTL1 3787/4885
US-20040242685-A1 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives SLC1A2, SLC6A1, KCNT2 SLC6A5 26/4885TP53 4820/4885L3MBTL1 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.