SCHEMBL25136256

SCHEMBL25136256

CC1(NC(=O)c2cc(C3CCC3)nc(C3CCCC3)n2)CCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.37
CNR2 P34972 6/20 0.37
ABL1 P00519 1/20 0.35
SMYD3 Q9H7B4 4/20 0.34
ANO1 Q5XXA6 2/20 0.34
CBLB Q13191 3/20 0.33
RAMP1 O60894 1/20 0.33
CALCRL Q16602 1/20 0.33
PLAT P00750 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL25136085 0.85 KMO (0.37) KMOCNR2ABL1
SCHEMBL25136129 0.83 KMO (0.37) KMOCNR2ABL1CBLB
SCHEMBL25136144 0.83 KMO (0.37) KMOCNR2ABL1CBLB
SCHEMBL25136264 0.79 CNR2 (0.44) CNR2ABL1SMYD3PLAT
SCHEMBL25135906 0.74 AXL (0.38) CNR2ABL1ANO1
SCHEMBL25136211 0.74 CBLB (0.40) CBLB
SCHEMBL25136301 0.74 CBLB (0.40) CBLB
SCHEMBL25136213 0.72 CNR2 (0.33) KMOCNR2ABL1CBLB
SCHEMBL25136058 0.72 CNR2 (0.33) KMOCNR2ABL1CBLB
SCHEMBL25136176 0.71 ALDH1A1 (0.36) CNR2

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 KMO 3243/4885CNR2 547/4885ABL1 585/4885

“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.