SCHEMBL4925560

SCHEMBL4925560

COc1ccc(-n2nc(C(=O)NCC(=O)C(C)(C)C)c3c2C2CCC3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL4933699 0.88 CNR2 (0.46) CNR1CNR2L3MBTL1POLBABCB1
SCHEMBL4934065 0.88 CNR2 (0.46) CNR1CNR2
SCHEMBL4936760 0.88 CNR2 (0.56) CNR1CNR2KMT2AMEN1TP53
SCHEMBL4936268 0.86 CNR2 (0.60) CNR1CNR2KMT2ARAB9ANPC1
SCHEMBL4933475 0.81 TP53 (0.51) CNR1CNR2ALDH1A1HTTCCNA2
SCHEMBL4935557 0.79 CNR2 (0.57) CNR1CNR2
SCHEMBL4933169 0.79 SMN1; SMN2 (0.52) ALDH1A1CCNA2CDK2CCNA1TP53
SCHEMBL4934001 0.78 CNR2 (0.75) CNR1CNR2
SCHEMBL4934270 0.78 CNR2 (0.75) CNR1CNR2
SCHEMBL4936705 0.78 CNR2 (0.75) CNR1CNR2

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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885KMT2A 2331/4885

“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.