SCHEMBL4901528

SCHEMBL4901528

CN(C)CCCC[C@@H](C(N)=O)c1cccc(C=Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
HTR2A P28223 3/20 0.41
HRH1 P35367 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 3/20 0.40
CCR2 P41597 1/20 0.40
HTR2C P28335 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GP6 Q9HCN6 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL14798226 0.84 HTR2A (0.44) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL14798442 0.83 ALDH1A1 (0.44) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL4903496 0.82 PTGS1 (0.47) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL4903451 0.81 ALDH1A1 (0.53) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL22322971 0.80 HTR2A (0.59) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL14797924 0.80 KDM4E (0.43) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL14798339 0.79 CCR2 (0.43) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL4909459 0.79 ALDH1A1 (0.40) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL4903456 0.77 CHRM1 (0.41) HTR2AHRH1KDM4EALDH1A1LMNA
SCHEMBL13472218 0.71 BCHE (0.48) BCHEACHELMNAKMT2AHDAC6

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
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

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 BCHE 3886/4885ACHE 4257/4885HTR2A 563/4885
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 BCHE 3012/4885ACHE 3076/4885HTR2A 168/4885
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 BCHE 3924/4885ACHE 4219/4885HTR2A 661/4885

“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.