SCHEMBL25136247

SCHEMBL25136247

Cn1cncc1-c1cccc(C(=O)N[C@H]2CC[C@H](C(F)F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.41
CNR2 P34972 4/20 0.41
HSD11B1 P28845 2/20 0.39
PRKAA2 P54646 1/20 0.39
USP30 Q70CQ3 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
CLK2 P49760 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PIM1 P11309 2/20 0.36
TNKS O95271 1/20 0.35
GPR142 Q7Z601 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL25136114 0.88 CD38 (0.44) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL30363781 0.88 CD38 (0.44) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL29182198 0.88 CD38 (0.44) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL30363585 0.86 S1PR2 (0.38) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136172 0.86 S1PR2 (0.38) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136093 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL30363917 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL29182246 0.84 CD38 (0.45) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136036 0.83 CD38 (0.43) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL29182177 0.83 CD38 (0.43) CD38CYP2D6CYP2B6CYP3A4IDO1

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 CD38 1/4885CNR2 547/4885HSD11B1 496/4885

“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.