SCHEMBL3552064

SCHEMBL3552064

COc1nc(C(F)(F)F)ccc1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
MBOAT4 Q96T53 2/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
MMP2 P08253 3/20 0.39
MMP8 P22894 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
MMP14 P50281 3/20 0.39
MMP16 P51512 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 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
SCHEMBL31045799 0.83 MTNR1A (0.43) TRPV1MBOAT4RXRATUBB4ATUBB
SCHEMBL13136015 0.82 MBOAT4 (0.46) TRPV1MBOAT4TUBB4ATUBBTUBA3C
SCHEMBL31045873 0.82 TRPV1 (0.45) TRPV1MBOAT4PTGS1
SCHEMBL17986246 0.81 MBOAT4 (0.45) TRPV1MBOAT4HSD17B10TUBB4ATUBB
SCHEMBL13757105 0.81 MBOAT4 (0.45) TRPV1MBOAT4HSD17B10TUBB4ATUBB
SCHEMBL3558234 0.80 MBOAT4 (0.49) TRPV1MBOAT4RXRARXRBRXRG
SCHEMBL23287266 0.78 MBOAT4 (0.45) TRPV1MBOAT4HSD17B10TUBB4ATUBB
SCHEMBL2528780 0.78 MBOAT4 (0.48) TRPV1MBOAT4HSD17B10PDE4B
SCHEMBL4472362 0.78 MBOAT4 (0.45) TRPV1MBOAT4HSD17B10TUBB4ATUBB
SCHEMBL3541953 0.76 POLB (0.60) HSD17B10TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (2 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-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators CNR1, CNR2, GPR18 TRPV1 61/4885MBOAT4 1904/4885RXRA 262/4885
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 TRPV1 61/4885MBOAT4 1904/4885RXRA 262/4885

“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.