SCHEMBL3561892

SCHEMBL3561892

CC1(C(=O)Nc2cc([C]3CCC3)n[nH]2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.40
ADORA1 P30542 1/20 0.39
PARP1 P09874 1/20 0.36
P2RX7 Q99572 2/20 0.34
NPY2R P49146 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ROCK1 Q13464 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL3561897 0.78 CCR2 (0.40) CETPADORA1PARP1P2RX7NPY2R
SCHEMBL3260122 0.77 CETP (0.39) CETPADORA1PARP1P2RX7NPY2R
SCHEMBL3565829 0.71 CCR2 (0.34) CETPADORA1NPY2RROCK1CYP3A4
SCHEMBL11120380 0.64 KMT2A (0.48) CETPPARP1P2RX7LMNA
SCHEMBL15505954 0.62 CETP (0.44) CETPP2RX7LMNAGAACRHBP
SCHEMBL29770386 0.62 NR2E3 (0.41) CETPADORA1LMNAGAA
SCHEMBL27203377 0.62 NR2E3 (0.41) CETPADORA1LMNAGAA
SCHEMBL11117692 0.62 KMT2A (0.48) PARP1P2RX7LMNA
SCHEMBL31506275 0.61 CETP (0.61) CETPP2RX7LMNA
SCHEMBL2034401 0.61 CETP (0.47) CETPP2RX7NPY2RCNR1CNR2

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 CETP 2387/4885ADORA1 549/4885PARP1 438/4885

“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.