SCHEMBL12601719

SCHEMBL12601719

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.71
SMYD3 Q9H7B4 2/20 0.47
PYGL P06737 14/20 0.46
PYGM P11217 10/20 0.46
HRH4 Q9H3N8 1/20 0.45
EHMT2 Q96KQ7 1/20 0.42

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 0.90 CNR2 (0.57) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL12601700 0.90 CNR2 (0.57) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL12601713 0.89 CNR2 (0.56) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL12601721 0.89 CNR2 (0.56) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL12601717 0.88 CNR2 (0.54) CNR2PYGLPYGM
SCHEMBL12601722 0.86 CNR2 (0.54) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL12601739 0.83 CNR2 (0.71) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL1573156 0.83 CNR2 (0.71) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL1572488 0.83 CNR2 (1.00) CNR2SMYD3PYGLPYGMHRH4
SCHEMBL1572491 0.83 CNR2 (1.00) CNR2SMYD3PYGLPYGMHRH4

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 1/4885SMYD3 2865/4885PYGL 3829/4885

“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.