SCHEMBL25136304

SCHEMBL25136304

BC1(NC(=O)c2cc(C(C)(C)O)nc(C3CCCC3)n2)CCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CNR2 P34972 5/20 0.33
CNR1 P21554 1/20 0.33
PDE2A O00408 3/20 0.32
CBLB Q13191 1/20 0.30

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
SCHEMBL25136083 1.00 GSK3A (0.39) GSK3AGSK3BCNR2CNR1PDE2A
SCHEMBL25136397 0.88 KHK (0.39) CNR2PDE2A
SCHEMBL25136301 0.85 CBLB (0.40) GSK3AGSK3BCBLB
SCHEMBL25136211 0.85 CBLB (0.40) GSK3AGSK3BCBLB
SCHEMBL25136058 0.82 CNR2 (0.33) CNR2PDE2ACBLB
SCHEMBL25136213 0.82 CNR2 (0.33) CNR2PDE2ACBLB
SCHEMBL25136176 0.82 ALDH1A1 (0.36) CNR2PDE2A
SCHEMBL25136144 0.81 KMO (0.37) CNR2PDE2ACBLB
SCHEMBL25136085 0.81 KMO (0.37) CNR2PDE2A
SCHEMBL25136129 0.81 KMO (0.37) CNR2PDE2ACBLB

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT GSK3A 330/4885GSK3B 395/4885CNR2 547/4885

“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.