SCHEMBL5530909

SCHEMBL5530909

CC(C)(C)C1CN(c2cnc(-c3ccc(C#N)cc3)c(-c3ccc(Cl)cc3)n2)CCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
CKS1B P61024 13/20 0.46
SKP1 P63208 13/20 0.46
SKP2 Q13309 13/20 0.46
PIK3CD O00329 5/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3C2B O00750 1/20 0.41
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
YES1 P07947 1/20 0.41
HCK P08631 1/20 0.41
FGR P09769 1/20 0.41
EPHA1 P21709 1/20 0.41
GRK4 P32298 1/20 0.41
KDR P35968 1/20 0.41
PIK3CG P48736 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL14545578 0.83 CNR1 (0.62) CNR1CKS1BSKP1SKP2
SCHEMBL4690127 0.82 CNR1 (0.52) CNR1CKS1BSKP1SKP2
SCHEMBL4695724 0.82 KMT2A (0.41) CKS1BSKP1SKP2PIK3CDPIK3R1
SCHEMBL4811669 0.81 CNR1 (0.42) CNR1CKS1BSKP1SKP2
SCHEMBL3554487 0.79 CHRM4 (0.51)
SCHEMBL5527891 0.77 SLC6A7 (0.41)
SCHEMBL5530911 0.77 CKS1B (0.68) CNR1CKS1BSKP1SKP2
SCHEMBL3787774 0.73 CHRM4 (0.49) PIK3CDPIK3R1PIK3C2BAURKAMAP4K4
SCHEMBL25264632 0.73 CHRM4 (0.48)
SCHEMBL4508825 0.72 GRM4 (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CKS1B 1836/4885SKP1 3576/4885

“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.