SCHEMBL3524057

SCHEMBL3524057

CC(C)(C)OC(=O)NCCCCCN1CCN(CCCCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.66
TDP1 Q9NUW8 1/20 0.63
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
SIGMAR1 Q99720 3/20 0.55
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CACNA1H O95180 1/20 0.50

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
SCHEMBL29263630 0.95 DRD2 (0.62) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL4572542 0.94 DRD2 (0.60) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL8254760 0.93 DRD2 (0.64) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL18604600 0.92 DRD2 (0.58) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL31465614 0.92 DRD2 (0.58) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL31596990 0.91 DRD2 (0.58) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL30737178 0.90 DRD2 (0.60) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL30572390 0.90 DRD2 (0.57) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL24913972 0.90 DRD2 (0.57) DRD2TDP1MAOAMAOBSIGMAR1
SCHEMBL829444 0.90 DRD2 (0.58) DRD2TDP1MAOAMAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 DRD2 1346/4885TDP1 2717/4885MAOA 385/4885

“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.