SCHEMBL3136679

SCHEMBL3136679

CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
LMNA P02545 3/20 0.66
RAB9A P51151 2/20 0.66
XBP1 P17861 1/20 0.66
CHRM1 P11229 1/20 0.63
PDE4A P27815 1/20 0.63
MAPT P10636 2/20 0.63
CRHBP P24387 2/20 0.63
CRHR2 Q13324 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
FAAH O00519 1/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CXCR1 P25024 5/20 0.58
CXCR2 P25025 5/20 0.58
EPHX1 P07099 1/20 0.58
PTGS1 P23219 4/20 0.55
PTGS2 P35354 3/20 0.55
CYP2C9 P11712 2/20 0.55
AKR1C3 P42330 2/20 0.55

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
SCHEMBL3151218 0.86 MAPK1 (0.76) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL31544561 0.84 MAPK1 (0.72) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL31544562 0.84 MAPK1 (0.72) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL3156221 0.82 MAPT (0.74) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL1821157 0.82 MAPT (0.74) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL4372856 0.81 MAPT (0.76) MAPK1LMNARAB9ACHRM1PDE4A
SCHEMBL3151838 0.81 MAPT (0.76) MAPK1LMNARAB9ACHRM1PDE4A
SCHEMBL27291251 0.81 MAPT (0.76) MAPK1LMNARAB9ACHRM1PDE4A
SCHEMBL3155546 0.80 MAPK1 (0.66) MAPK1LMNARAB9AXBP1CHRM1
SCHEMBL3147602 0.80 RAB9A (0.66) MAPK1LMNARAB9AXBP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US claimed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP claimed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 US claimed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP claimed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 WO claimed
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 US disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 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-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils CXCL8, MMP8, CCR8 MAPK1 2258/4885LMNA 3228/4885RAB9A 1083/4885

“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.