SCHEMBL3073641

SCHEMBL3073641

CCC(NCc1ccc(OCc2ccccc2)cc1)C(=O)NC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
BCHE P06276 2/20 0.53
LTA4H P09960 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1071045 0.93 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL8935277 0.93 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL8935472 0.93 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL1069240 0.90 MMP9 (0.69) MMP9MMP8BCHELTA4HMME
SCHEMBL3288556 0.90 MMP9 (0.69) MMP9MMP8BCHELTA4HMME
SCHEMBL7398737 0.89 MMP9 (0.55) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7398741 0.89 MMP9 (0.55) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7403575 0.88 MMP9 (0.57) MMP9MMP8BCHELTA4HNPC1
SCHEMBL8935375 0.88 MMP9 (0.57) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7439130 0.86 MAOB (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267835-A1 Methods of treating disorders of trigeminalvascular activation NEWRON PHARMACEUTICALS SPA (IT) 2010-10-21 US claimed
US-7709523-B2 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS SPA (IT) 2010-05-04 US claimed
EP-1585510-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARM SPA (IT) 2007-12-05 EP claimed
US-20060079570-A1 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-04-13 US claimed
EP-1585510-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS Newron Pharmaceuticals S.p.A. (IT) 2005-10-19 EP claimed
WO-2004062655-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARMACEUTICALS SPA (IT) 2004-07-29 WO claimed
EP-1438956-A1 Alpha-aminoamide derivatives useful as antimigraine agents Newron Pharmaceuticals S.p.A. (IT) 2004-07-21 EP claimed
US-20100267835-A1 Methods of treating disorders of trigeminalvascular activation NEWRON PHARMACEUTICALS SPA (IT) 2010-10-21 US disclosed
US-7709523-B2 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS SPA (IT) 2010-05-04 US disclosed
EP-1585510-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARM SPA (IT) 2007-12-05 EP disclosed
US-20060079570-A1 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-04-13 US disclosed
EP-1585510-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS Newron Pharmaceuticals S.p.A. (IT) 2005-10-19 EP disclosed
WO-2004062655-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARMACEUTICALS SPA (IT) 2004-07-29 WO disclosed
EP-1438956-A1 Alpha-aminoamide derivatives useful as antimigraine agents Newron Pharmaceuticals S.p.A. (IT) 2004-07-21 EP 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 (2 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-20060079570-A1 Alpha-aminoamide derivatives useful as antimigraine agents AANAT, FAAH, ACHE MMP9 1109/4885MMP8 1717/4885BCHE 506/4885
US-20100267835-A1 Methods of treating disorders of trigeminalvascular activation MVD, TBXA2R, BDKRB2 MMP9 1865/4885MMP8 534/4885BCHE 1551/4885

“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.