SCHEMBL2213892

SCHEMBL2213892

Sc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 5/20 0.67
▸ PSMB5 P28074 5/20 0.67
▸ PSMB2 P49721 4/20 0.67
▸ LTA4H P09960 12/20 0.65
▸ HRH3 Q9Y5N1 2/20 0.65
▸ PTGS2 P35354 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ PTGS1 P23219 1/20 0.63

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
SCHEMBL25059499 0.98 PSMB1 (0.70) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL25059429 0.96 PSMB1 (0.62) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL3578646 0.83 HRH3 (0.90) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL4517043 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL5606946 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL8337754 0.81 HRH3 (0.70) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL1986761 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL13896856 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL3578343 0.81 PSMB1 (0.67) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL7819691 0.81 LTA4H (0.90) PSMB1PSMB5PSMB2LTA4HHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 — — EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PSMB1 3765/4885PSMB5 2203/4885PSMB2 3252/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PSMB1 3791/4885PSMB5 2223/4885PSMB2 3319/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PSMB1 3765/4885PSMB5 2203/4885PSMB2 3252/4885

“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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