SCHEMBL5017582

SCHEMBL5017582

COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 11/20 0.77
TP53 P04637 2/20 0.64
HTR2A P28223 2/20 0.53
P2RX3 P56373 1/20 0.52
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ADCYAP1R1 P41586 1/20 0.46
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5016040 0.88 SLC6A5 (0.83) SLC6A5TP53HTR2AP2RX3OPRM1
SCHEMBL5015906 0.87 SLC6A5 (0.81) SLC6A5TP53HTR2AP2RX3OPRM1
SCHEMBL5017583 0.87 SLC6A5 (0.59) SLC6A5TP53HTR2ACHRNB2CHRNB4
SCHEMBL5017542 0.87 SLC6A5 (1.00) SLC6A5TP53HTR2AP2RX3L3MBTL1
SCHEMBL5022643 0.86 SLC6A5 (1.00) SLC6A5TP53HTR2AP2RX3OPRM1
Hydrochloric Acid SCHEMBL26654518 0.86 SLC6A5 (1.00) SLC6A5TP53HTR2AP2RX3L3MBTL1
SCHEMBL6013403 0.82 SLC6A5 (0.89) SLC6A5TP53HTR2AP2RX3L3MBTL1
SCHEMBL16233251 0.81 SLC6A5 (0.83) SLC6A5TP53HTR2AP2RX3L3MBTL1
SCHEMBL16233255 0.79 SLC6A5 (0.80) SLC6A5TP53HTR2AP2RX3L3MBTL1
SCHEMBL5017789 0.79 TP53 (1.00) SLC6A5TP53HTR2AP2RX3OPRM1

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 3 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

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 26/4885TP53 4820/4885HTR2A 628/4885

“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.