SCHEMBL6675668

SCHEMBL6675668

[CH2]CCNC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.65
PDE4A P27815 1/20 0.65
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA9 Q16790 1/20 0.61
CXCR1 P25024 5/20 0.60
CXCR2 P25025 5/20 0.60
TRPV1 Q8NER1 1/20 0.58
APP P05067 1/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 2/20 0.57
AKR1C3 P42330 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57

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
SCHEMBL6069869 1.00 CHRM1 (0.65) CHRM1PDE4ACA12CA1CA2
Mabuprofen SCHEMBL51633 0.86 CHRM1 (0.67) CHRM1PDE4ACA12CA1CA2
SCHEMBL12613755 0.85 CHRM1 (0.65) CHRM1PDE4ACA12CA1CA2
SCHEMBL12608940 0.84 CA12 (0.64) CHRM1PDE4ACA12CA1CA2
SCHEMBL15343987 0.84 CA12 (0.64) CHRM1PDE4ACA12CA1CA2
SCHEMBL15369139 0.84 CA12 (0.64) CHRM1PDE4ACA12CA1CA2
SCHEMBL24045921 0.84 TRPV1 (0.64) CHRM1PDE4ACA12CA1CA2
Hydrochloric Acid SCHEMBL12501502 0.84 CHRM1 (0.63) CHRM1PDE4ACA12CA1CA2
SCHEMBL12613829 0.84 CHRM1 (0.63) CHRM1PDE4ACA12CA1CA2
SCHEMBL16190249 0.84 TRPV1 (0.64) CHRM1PDE4ACA12CA1CA2

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
EP-1430020-B1 QUATERNARY AMMONIUM SALTS OF OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-03-02 EP disclosed
US-20040266870-A1 Quaternary ammonium salts of omega-aminoalkylamides of r-2-aryl-propionic acids and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-12-30 US disclosed
EP-1430020-A1 QUATERNARY AMMONIUM SALTS OF OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2004-06-23 EP disclosed
WO-2003029187-A1 QUATERNARY AMMONIUM SALTS OF OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2003-04-10 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-20040266870-A1 Quaternary ammonium salts of omega-aminoalkylamides of r-2-aryl-propionic acids and pharmaceutical compositions containing them C3AR1, IL5, AP1G1 CHRM1 673/4885PDE4A 3154/4885CA12 4610/4885

“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.