SCHEMBL3565829

SCHEMBL3565829

CC1(C(=O)Nc2cc(C3CC(OC(N)=O)C3)n[nH]2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.34
CETP P11597 6/20 0.34
ADORA1 P30542 1/20 0.33
CCNE1 P24864 7/20 0.33
CDK2 P24941 7/20 0.33
NPY2R P49146 1/20 0.32
GSK3B P49841 4/20 0.31
ROCK1 Q13464 1/20 0.31
CYP3A4 P08684 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL3561897 0.82 CCR2 (0.40) CCR2CETPADORA1CDK2NPY2R
SCHEMBL3260122 0.81 CETP (0.39) CCR2CETPADORA1NPY2RROCK1
SCHEMBL3563449 0.79 SMN1; SMN2 (0.40) ADORA1CDK2
SCHEMBL3559144 0.79 CCNE1 (0.36) CCNE1CDK2GSK3BROCK1
SCHEMBL3559145 0.79 CCNE1 (0.36) CCNE1CDK2GSK3BROCK1
SCHEMBL3136001 0.78 MAPK1 (0.40) CETPCCNE1CDK2GSK3B
SCHEMBL3561892 0.71 CETP (0.40) CETPADORA1NPY2RROCK1CYP3A4
SCHEMBL22287154 0.66 CCNE1 (0.55) CCNE1CDK2GSK3B
SCHEMBL26040314 0.66 CCNE1 (0.56) CCNE1CDK2GSK3B
SCHEMBL13268152 0.65 GPR35 (0.30)

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CCR2 3097/4885CETP 2387/4885ADORA1 549/4885

“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.