SCHEMBL3561897

SCHEMBL3561897

CC1(C(=O)Nc2cc(C3CCC3)n[nH]2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
CETP P11597 8/20 0.39
ADORA1 P30542 1/20 0.38
KDM5A P29375 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 1/20 0.34
NPY2R P49146 1/20 0.33
P2RX7 Q99572 1/20 0.33
PARP1 P09874 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 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
SCHEMBL3260122 0.89 CETP (0.39) CCR2CETPADORA1KDM5ANPY2R
SCHEMBL3565829 0.82 CCR2 (0.34) CCR2CETPADORA1NPY2RCDK2
SCHEMBL3561892 0.78 CETP (0.40) CETPADORA1NPY2RP2RX7PARP1
SCHEMBL5487500 0.73 CDK2 (0.38) HCAR2CDK2
SCHEMBL3559145 0.72 CCNE1 (0.36) P2RX7CDK2
SCHEMBL5597500 0.71 KMT2A (0.47) KMT2ADRD2DRD4
SCHEMBL5867850 0.71 HDAC1 (0.45) KDM5APARP1
SCHEMBL21501555 0.70 CDK2 (0.49) CDK2CDK9CDK5
SCHEMBL1106976 0.70 CCNA2 (0.40) ADORA1KDM5ACDK2
SCHEMBL31516877 0.70 CCNA2 (0.45) ADORA1PARP1CDK2DRD2DRD4

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.