SCHEMBL25136270

SCHEMBL25136270

BC1(NC(=O)c2cccc(C3CCCC3)n2)CCCCCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.58
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATR Q13535 1/20 0.36
MAP4K4 O95819 1/20 0.35
FPR2 P25090 1/20 0.35
GRM5 P41594 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
SYK P43405 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL25136288 1.00 CNR2 (0.58) CNR2HSD11B1MEN1KMT2AATR
SCHEMBL25135995 0.82 CNR2 (0.38) CNR2ATRFPR2GRM5
SCHEMBL25136311 0.82 CNR2 (0.38) CNR2ATRFPR2GRM5
SCHEMBL25136122 0.79 CD38 (0.37) CNR2KMT2AFPR2GRM5
SCHEMBL25135921 0.79 CNR2 (0.38) CNR2KMT2AATR
SCHEMBL25136299 0.79 PIM1 (0.46) CNR2KMT2A
SCHEMBL25136144 0.78 KMO (0.37) CNR2
SCHEMBL25136085 0.78 KMO (0.37) CNR2ATR
SCHEMBL25136129 0.78 KMO (0.37) CNR2
SCHEMBL25136072 0.78 CNR2 (0.37) CNR2ATRGRM5

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 CNR2 547/4885HSD11B1 496/4885MEN1 2586/4885

“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.