SCHEMBL12601700

SCHEMBL12601700

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
FLT3 P36888 7/20 0.39
PDGFRB P09619 2/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
BCR P11274 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SMAD3 P84022 1/20 0.39
SRC P12931 1/20 0.38
PYGL P06737 4/20 0.37
PYGM P11217 4/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37
MLLT1 Q03111 1/20 0.36
PDGFRA P16234 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL12601714 1.00 CNR2 (0.57) CNR2FLT3PDGFRBABL1KIT
SCHEMBL12601713 0.90 CNR2 (0.56) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601721 0.90 CNR2 (0.56) CNR2FLT3HRH4PYGLPYGM
SCHEMBL12601719 0.90 CNR2 (0.71) CNR2HRH4PYGLPYGMSMYD3
SCHEMBL12601717 0.89 CNR2 (0.54) CNR2PYGLPYGMCCKBR
SCHEMBL12601722 0.87 CNR2 (0.54) CNR2HRH4PYGLPYGMMLLT1
SCHEMBL12601718 0.84 CNR2 (0.51) CNR2PYGLPYGMMLLT1SMYD3
SCHEMBL1572567 0.83 CNR2 (0.81) CNR2FLT3PDGFRBABL1KIT
SCHEMBL1572570 0.83 CNR2 (0.81) CNR2FLT3PDGFRBABL1KIT
SCHEMBL1572945 0.83 CNR2 (0.81) CNR2FLT3PDGFRBABL1KIT

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 1/4885FLT3 1337/4885PDGFRB 459/4885

“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.