SCHEMBL5015969

SCHEMBL5015969

CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 14/20 1.00
HTR2A P28223 2/20 0.81
P2RX3 P56373 1/20 0.79
TP53 P04637 2/20 0.77
THRB P10828 1/20 0.61
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
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
SCHEMBL5015981 0.99 SLC6A5 (1.00) SLC6A5HTR2AP2RX3TP53THRB
SCHEMBL5022323 0.94 SLC6A5 (1.00) SLC6A5HTR2AP2RX3TP53THRB
SCHEMBL5024902 0.93 SLC6A5 (1.00) SLC6A5HTR2AP2RX3TP53THRB
SCHEMBL16233197 0.89 SLC6A5 (0.82) SLC6A5HTR2AP2RX3TP53THRB
SCHEMBL16233215 0.89 SLC6A5 (1.00) SLC6A5HTR2AP2RX3TP53THRB
Hydrochloric Acid SCHEMBL22806695 0.89 SLC6A5 (1.00) SLC6A5HTR2AP2RX3TP53THRB
SCHEMBL5017789 0.87 TP53 (1.00) SLC6A5HTR2AP2RX3TP53OPRM1
SCHEMBL16233167 0.87 SLC6A5 (0.77) SLC6A5HTR2AP2RX3TP53CRHBP
SCHEMBL2292348 0.85 TP53 (0.77) SLC6A5HTR2AP2RX3TP53OPRM1
SCHEMBL5025990 0.83 TP53 (0.75) SLC6A5HTR2AP2RX3TP53OPRM1

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 SLC6A5 26/4885HTR2A 628/4885P2RX3 1204/4885

“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.