SCHEMBL3260122

SCHEMBL3260122

CC1(C(=O)Nc2cc(C3C[CH]C3)n[nH]2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.39
ADORA1 P30542 1/20 0.37
CCR2 P41597 1/20 0.36
NPY2R P49146 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
KDM5A P29375 1/20 0.34
ROCK1 Q13464 1/20 0.34
PARP1 P09874 1/20 0.33
P2RX7 Q99572 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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 0.89 CCR2 (0.40) CETPADORA1CCR2NPY2RDRD2
SCHEMBL3565829 0.81 CCR2 (0.34) CETPADORA1CCR2NPY2RROCK1
SCHEMBL3561892 0.77 CETP (0.40) CETPADORA1NPY2RDRD2DRD4
SCHEMBL3556396 0.75 ALOX15 (0.46) ADORA1
SCHEMBL3260157 0.75 ADORA1 (0.39) ADORA1NPY2RKDM5A
SCHEMBL3559145 0.71 CCNE1 (0.36) ROCK1P2RX7
SCHEMBL3559144 0.71 CCNE1 (0.36) ROCK1P2RX7
SCHEMBL3564741 0.66 CYP1A2 (0.51) CYP3A4
SCHEMBL5867850 0.65 HDAC1 (0.45) KDM5APARP1
SCHEMBL31516877 0.63 CCNA2 (0.45) ADORA1DRD2DRD4PARP1CYP3A4

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
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP claimed
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 CETP 2387/4885ADORA1 549/4885CCR2 3097/4885

“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.