SCHEMBL4804680

SCHEMBL4804680

CC(C)(C)OC(=O)Nc1ccncc1/C=C(/NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
SYK P43405 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
MAPT P10636 1/20 0.37
CYP17A1 P05093 1/20 0.37
ELANE P08246 1/20 0.37
NAMPT P43490 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL4804689 1.00 POLB (0.43) POLBTRPV1SYKNPC1RAB9A
SCHEMBL14195878 0.93 POLB (0.42) POLBTRPV1SYKNPC1RAB9A
SCHEMBL14195874 0.89 POLB (0.44) POLBTRPV1SYKNPC1RAB9A
SCHEMBL4875793 0.81 ELANE (0.41) SYKNPC1RAB9ATOP2ATOP2B
SCHEMBL2209322 0.80 NPC1 (0.40) SYKNPC1RAB9ATOP2ATOP2B
SCHEMBL2209326 0.80 NPC1 (0.40) SYKNPC1RAB9ATOP2ATOP2B
SCHEMBL4393129 0.79 POLB (0.47) POLBTRPV1NPC1RAB9ANAMPT
SCHEMBL4387066 0.79 POLB (0.47) POLBTRPV1NPC1RAB9ANAMPT
SCHEMBL4393130 0.79 POLB (0.47) POLBTRPV1NPC1RAB9ANAMPT
SCHEMBL4394884 0.79 POLB (0.47) POLBTRPV1NPC1RAB9ANAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
WO-2006076569-A2 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154956-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060154956-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR POLB 3169/4885TRPV1 139/4885SYK 2548/4885

“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.