SCHEMBL4903451

SCHEMBL4903451

CC(C)c1cccc([C@@H](CCCCN(C)C)C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 2/20 0.40
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
CCR2 P41597 1/20 0.38
MAPT P10636 2/20 0.36
MDM4 O15151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CA5A P35218 1/20 0.36
HTT P42858 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL14797924 0.91 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL14798442 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL4909459 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL14798226 0.87 HTR2A (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL4903456 0.85 CHRM1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL4903496 0.82 PTGS1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL4901528 0.81 BCHE (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL22322971 0.80 HTR2A (0.59) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL14798339 0.79 CCR2 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHTR2A
SCHEMBL3817988 0.76 EPHX1 (0.54) LMNAHTR2AALOX5EPHX1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493402-B2 Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-11-15 US disclosed
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ Dompé S.p.A. (IT) 2013-03-28 US disclosed
US-8288368-B2 inhibitors of the C5a induced chemotaxis; psoriasis, ulcerative cholitis, glomerular nephritis, acute respiratory insufficiency, idiopathic fibrosis, rheumatoid arthritis and in the prevention and the treatment of injury caused by ischemia and reperfusion DOMPÉ PHA.R.MA S.P.A. (IT) 2012-10-16 US disclosed
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 US disclosed
US-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPE S.P A. (IT) 2005-04-14 US disclosed
EP-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 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 (3 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-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells C5AR2, C3AR1, C5AR1 ALDH1A1 689/4885KDM4E 4458/4885SMN1; SMN2 3517/4885
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 ALDH1A1 1026/4885KDM4E 3935/4885SMN1; SMN2 3737/4885
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 ALDH1A1 494/4885KDM4E 4525/4885SMN1; SMN2 3516/4885

“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.