SCHEMBL4746925

SCHEMBL4746925

CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
CRHBP P24387 2/20 0.73
CRHR2 Q13324 2/20 0.73
GAA P10253 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA9 Q16790 1/20 0.65
CHRM1 P11229 1/20 0.58
PDE4A P27815 1/20 0.58
RAB9A P51151 2/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55
CXCR1 P25024 4/20 0.55
CXCR2 P25025 4/20 0.55
EPHX1 P07099 1/20 0.54
LMNA P02545 2/20 0.52
XBP1 P17861 1/20 0.52

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
Hydrochloric Acid SCHEMBL4746985 0.99 MAPT (0.71) MAPTCRHBPCRHR2GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4746352 0.99 MAPT (0.71) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL7162932 0.86 MAPT (0.73) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL4908844 0.86 MAPT (0.73) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL21620312 0.85 MAPT (0.79) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL4372856 0.83 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL3151838 0.83 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL27291251 0.83 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL3156221 0.82 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL1821157 0.82 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO claimed
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
WO-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO 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 MAPT 3881/4885CRHBP 4002/4885CRHR2 996/4885
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 MAPT 4398/4885CRHBP 3693/4885CRHR2 1459/4885
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 MAPT 3757/4885CRHBP 4180/4885CRHR2 1252/4885

“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.