SCHEMBL4499378

SCHEMBL4499378

CCCCOC(=O)NC(C)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.53
ACHE P22303 7/20 0.53
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
MAOB P27338 1/20 0.50
ACE P12821 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6550863 0.80 SIGMAR1 (0.60) ABL1RIN1
SCHEMBL30135747 0.78 CHRM4 (0.53) BCHEACHEABL1RIN1CACNA1F
SCHEMBL4504589 0.78 KDM4E (0.44) MAOBCYP2C9
SCHEMBL13970462 0.76 MCHR1 (0.56) ABL1RIN1
SCHEMBL14052244 0.75 ACHE (0.57) BCHEACHEMAOBCYP2D6CYP2C9
SCHEMBL27579130 0.74 BCHE (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6584927 0.74 BCHE (0.45) BCHEACHECACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL26923010 0.74 S1PR5 (0.52) BCHEACHEABL1RIN1CACNA1F
SCHEMBL4491138 0.74 ITGB3 (0.42)
SCHEMBL29739590 0.73 S1PR1 (0.50) ABL1RIN1

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-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 BCHE 4454/4885ACHE 1245/4885ABL1 809/4885

“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.