SCHEMBL1844671

SCHEMBL1844671

C[N]CCNCCNCc1nccs1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.33
FDPS P14324 1/20 0.32
DRD4 P21917 1/20 0.32
CHRM4 P08173 1/20 0.31
ADRB2 P07550 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL1843936 0.87 CYP2C19 (0.35) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL1844674 0.81 ADRB2 (0.40) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL27635623 0.78 CYP2C19 (0.38) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL1841133 0.78 CYP2C19 (0.38) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL27377535 0.78 SMN1; SMN2 (0.42) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL16268203 0.77 HTR7 (0.45) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL2311217 0.76 CYP2C19 (0.46) CYP2C19KDM1AMAOBTRPM5FDPS
Hydrochloric Acid SCHEMBL4346321 0.76 SMN1; SMN2 (0.41) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL3281612 0.76 CYP2C19 (0.39) CYP2C19KDM1AMAOBTRPM5FDPS
SCHEMBL25169914 0.74 CYP2C19 (0.40) CYP2C19KDM1AMAOBTRPM5FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529053-B1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON SPA (IT) 2011-05-18 EP claimed
US-7488811-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2009-02-10 US claimed
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2006-03-16 US claimed
EP-1529053-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 2005-05-11 EP claimed
WO-2004013153-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2004-02-12 WO claimed
EP-2258708-A1 Macrolide compounds endowed with antiinflammatory activity Zambon S.p.A. (IT) 2010-12-08 EP disclosed
US-7704960-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2010-04-27 US disclosed
US-20090054357-A1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2009-02-26 US disclosed
US-7488811-B2 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2009-02-10 US disclosed
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity ZAMBON GROUP S.P.A. (IT) 2006-03-16 US disclosed
EP-1529053-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 2005-05-11 EP disclosed
WO-2004013153-A2 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2004-02-12 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 (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-20090054357-A1 MACROLIDE COMPOUNDS ENDOWED WITH ANTIINFLAMMATORY ACTIVITY CEL, MPO, IL6 CYP2C19 1558/4885KDM1A 4267/4885MAOB 3239/4885
US-20060058246-A1 Macrolide compounds endowed with antiinflammatory activity CEL, MPO, IL6 CYP2C19 1558/4885KDM1A 4267/4885MAOB 3239/4885

“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.