SCHEMBL5008486

SCHEMBL5008486

NC(=O)C1CCc2ccccc2[N]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PLAU P00749 1/20 0.35
ANPEP P15144 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CYP19A1 P11511 1/20 0.33
PIN1 Q13526 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 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
SCHEMBL11647276 0.84 NOS3 (0.39) NOS3NOS1NOS2MTNR1AMTNR1B
SCHEMBL3227259 0.82 CYP2D6 (0.37) NOS3NOS1NOS2HTR2BALDH1A1
SCHEMBL9392548 0.78 SIRT1 (0.36) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL6866536 0.75 KDM4E (0.41) ALDH1A1MAPT
SCHEMBL9393569 0.74 CTSD (0.40) HTR2BMAPT
SCHEMBL5542044 0.72 NOS3 (0.39) NOS3NOS1NOS2PLAUANPEP
SCHEMBL8935522 0.72 CYP2D6 (0.40) NOS3NOS1NOS2PLAUANPEP
SCHEMBL1515117 0.70 NOS3 (0.41) NOS3NOS1NOS2PLAUALDH1A1
SCHEMBL3377490 0.69 MAPT (0.41) NOS3NOS1NOS2TRPA1MAPT
SCHEMBL7295206 0.69 MAPT (0.41) NOS3NOS1NOS2TRPA1MAPT

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NOS3 2959/4885NOS1 4311/4885NOS2 4592/4885

“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.