SCHEMBL6528518

SCHEMBL6528518

NC(=O)C(c1ccccc1)C1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
OPRD1 P41143 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTR1E P28566 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR3 Q99500 1/20 0.45
SMYD3 Q9H7B4 2/20 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
SCHEMBL27746280 0.90 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL22188704 0.88 HTR1E (0.51) MEN1LMNAMAPTHTR1EKMT2A
SCHEMBL4176732 0.88 HTR1E (0.51) MEN1LMNAMAPTHTR1EKMT2A
SCHEMBL13114874 0.86 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1SLC6A2SLC6A4
SCHEMBL4678502 0.85 SLC6A3 (0.60) CACNA2D1CACNA1BCACNB1SLC6A2SLC6A4
SCHEMBL5049598 0.84 HTR1E (0.57) SLC6A2SLC6A3MEN1LMNAMAPT
SCHEMBL4866289 0.84 HTR1E (0.61) SLC6A2SLC6A3MEN1LMNAMAPT
SCHEMBL29277467 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5051899 0.83 HTR1E (0.59) SLC6A2SLC6A3MEN1LMNAMAPT
SCHEMBL14453320 0.83 MEN1 (0.59) SLC6A2SLC6A3MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048161-A Arylthiobenzylpiperidine Derivatives LUNDBECK & CO AS H (DK) 2007-10-03 CN disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 CN 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CACNA2D1 4692/4885CACNA1B 3933/4885CACNB1 3940/4885

“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.