SCHEMBL3522571

SCHEMBL3522571

NCCCCCN1CCN(CCCCC(N)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.36
▸ F2 P00734 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ DPP7 Q9UHL4 4/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3522567 0.76 CPB2 (0.47) CPB2
SCHEMBL28245268 0.74 GABRR1 (0.31) —
SCHEMBL29282406 0.73 GRIK1 (0.44) —
SCHEMBL28283750 0.73 GRIK1 (0.44) —
SCHEMBL16097118 0.73 MGLL (0.46) —
SCHEMBL27742728 0.71 CPB2 (0.42) GSRCPB2DPP7DPP8DPP9
SCHEMBL2158216 0.71 GRIK1 (0.42) —
SCHEMBL3963136 0.70 GRIK1 (0.41) —
SCHEMBL28317076 0.70 SLC1A2 (0.41) DPP7
SCHEMBL25186742 0.69 GSR (0.48) GSRCPB2

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 4 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
EP-1968969-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-17 — — EP disclosed
WO-2007071396-A2 PYRAZINOYLGUANIDINE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2007-06-28 — — 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 GSR 2792/4885F2 275/4885CPB2 3834/4885

“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.

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