SCHEMBL5219685

SCHEMBL5219685

CC(C(=O)OC(C)(C)C)c1ccc(CN2CC=CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
FAAH O00519 2/20 0.35
PTGS2 P35354 5/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
PTGS1 P23219 3/20 0.35
CYP2C9 P11712 3/20 0.35
LMNA P02545 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
NFKB1 P19838 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL5218361 0.80 PTGS1 (0.56) ALDH1A1HTTSMN1; SMN2PTGS2PTGS1
SCHEMBL5214126 0.79 EPHX1 (0.57) ALDH1A1HTTSMN1; SMN2HRH3FAAH
SCHEMBL5214115 0.79 EPHX1 (0.57) ALDH1A1HTTSMN1; SMN2HRH3FAAH
SCHEMBL16811749 0.78 APP (0.46) APPALDH1A1PTGS2PTGS1CYP2C9
SCHEMBL5216265 0.77 APP (0.45) APPPTGS2PTGS1CYP2C9LMNA
SCHEMBL9077712 0.76 APP (0.44) APPALDH1A1HTTPTGS2PTGS1
SCHEMBL10399805 0.76 PTGS2 (0.58) APPPTGS2PTGS1CYP2C9LMNA
SCHEMBL6349692 0.75 APP (0.58) APPCYP2C9LMNANFKB1PMP22
SCHEMBL9792793 0.74 APP (0.46) APPALDH1A1PTGS2PTGS1CYP2C9
SCHEMBL9792900 0.74 PTGS2 (0.44) APPPTGS2PTGS1CYP2C9LMNA

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-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP disclosed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 US disclosed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 US disclosed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 EP disclosed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 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-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation MMP8, CXCL8, HCAR2 APP 2281/4885ALDH1A1 391/4885HTT 2986/4885

“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.