SCHEMBL4875793

SCHEMBL4875793

CC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)cc1C=C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.41
TACR3 P29371 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
SYK P43405 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
MAPT P10636 1/20 0.37
MGLL Q99685 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL14183159 0.93 TACR3 (0.41) ELANETACR3BRD9SYKNPC1
SCHEMBL4878114 0.83 MGLL (0.40) ELANESYKTOP2ATOP2BMAPT
SCHEMBL5109252 0.82 TACR3 (0.42) ELANETACR3BRD9SYKNPC1
SCHEMBL4804689 0.81 POLB (0.43) ELANESYKNPC1RAB9ATOP2A
SCHEMBL4804680 0.81 POLB (0.43) ELANESYKNPC1RAB9ATOP2A
SCHEMBL14183149 0.78 BRD9 (0.50) BRD9
SCHEMBL2209322 0.77 NPC1 (0.40) ELANESYKNPC1RAB9ATOP2A
SCHEMBL2209326 0.77 NPC1 (0.40) ELANESYKNPC1RAB9ATOP2A
SCHEMBL14183135 0.76 MGLL (0.39) ELANETACR3SYKTOP2ATOP2B
SCHEMBL4876178 0.76 KLK5 (0.46) TACR3BRD9SYKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-20060155126-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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 ELANE 3989/4885TACR3 259/4885BRD9 647/4885

“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.