SCHEMBL12601722

SCHEMBL12601722

[C-]#[N+]c1ccc2c(c1)[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3[nH]1)C(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
HRH4 Q9H3N8 2/20 0.44
GUSB P08236 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
PYGL P06737 4/20 0.35
PYGM P11217 4/20 0.35
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
MLLT1 Q03111 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ABCB1 P08183 1/20 0.33
CYP19A1 P11511 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL12601700 0.87 CNR2 (0.57) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601714 0.87 CNR2 (0.57) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601719 0.86 CNR2 (0.71) CNR2HRH4PYGLPYGMSMYD3
SCHEMBL12601721 0.86 CNR2 (0.56) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601713 0.86 CNR2 (0.56) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601717 0.85 CNR2 (0.54) CNR2DRD2PYGLPYGMKDM4E
SCHEMBL1572507 0.84 CNR2 (0.76) CNR2HRH4GUSBHTR1ADRD2
SCHEMBL1572505 0.84 CNR2 (0.76) CNR2HRH4GUSBHTR1ADRD2
SCHEMBL12601718 0.81 CNR2 (0.51) CNR2PYGLPYGMMLLT1KDM4E
SCHEMBL1155914 0.72 MLLT1 (0.58) HRH4GUSBHTR1ADRD2HTR2A

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-7943658-B2 Indole indane amide compounds useful as CB2 agonists and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 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-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD CNR2, CNR1, GPR68 CNR2 1/4885HRH4 21/4885GUSB 4619/4885

“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.