SCHEMBL12807946

SCHEMBL12807946

Nc1cccc(COc2ccc(S(=O)(=O)C3CCNCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MAOB P27338 7/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
FFAR1 O14842 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
NAMPT P43490 1/20 0.38
KDM1A O60341 2/20 0.38

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
SCHEMBL12735867 0.86 MMP1 (0.54) MAOBMMP1MMP13ADAM17MAOA
SCHEMBL12735859 0.86 MAOB (0.50) MAOBMMP1MMP13MMP2MMP9
SCHEMBL12735861 0.85 CA12 (0.55) CA12CA1CA2CA4CA5A
SCHEMBL12735865 0.85 HTR6 (0.52) MAOBMMP1MMP13FFAR1MMP14
Hydrochloric Acid SCHEMBL1532794 0.85 MAOB (0.51) MAOBMMP1MMP13MMP2MMP9
SCHEMBL21480407 0.76 CA12 (0.51) ACHECA12CA1CA2CA4
SCHEMBL4222612 0.75 MAOB (0.43) CA12CA1CA2CA4CA5A
SCHEMBL12807780 0.74 MAOB (0.52) ACHEMAOBKDM1A
SCHEMBL20068102 0.74 PGR (0.47) ACHEMAOB
SCHEMBL1865965 0.73 HTR6 (0.44) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 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 (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-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 ACHE 64/4885CA12 3672/4885CA1 2196/4885

“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.