SCHEMBL4905486

SCHEMBL4905486

COC(=O)[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.58
CXCR2 P25025 5/20 0.58
FAAH O00519 1/20 0.56
CHRM1 P11229 1/20 0.55
PDE4A P27815 1/20 0.55
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48

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
SCHEMBL6449599 0.87 CXCR1 (0.57) CXCR1CXCR2FAAHCHRM1PDE4A
SCHEMBL14798132 0.87 CXCR1 (0.57) CXCR1CXCR2FAAHCHRM1PDE4A
SCHEMBL7161914 0.86 CXCR1 (0.56) CXCR1CXCR2FAAHCHRM1PDE4A
SCHEMBL12336396 0.86 CXCR1 (0.62) CXCR1CXCR2CHRM1PDE4AMAPK1
SCHEMBL7161920 0.85 CHRM1 (0.55) CXCR1CXCR2FAAHCHRM1PDE4A
SCHEMBL4913428 0.85 CHRM1 (0.55) CXCR1CXCR2FAAHCHRM1PDE4A
SCHEMBL29275094 0.84 GAA (0.62) CXCR1CXCR2CHRM1PDE4AGAA
SCHEMBL29275092 0.84 GAA (0.62) CXCR1CXCR2CHRM1PDE4AGAA
Hydrochloric Acid SCHEMBL7163519 0.80 CXCR1 (0.57) CXCR1CXCR2CHRM1PDE4AMAPK1
SCHEMBL12709602 0.79 CXCR1 (0.53) CXCR1CXCR2CHRM1PDE4AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 CXCR1 544/4885CXCR2 145/4885FAAH 197/4885

“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.