SCHEMBL12601739

SCHEMBL12601739

COC(=O)c1ccc2c(c1)C(NC(=O)c1cc3cc(Cl)ccc3[nH]1)C(C)(C)C2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.71
SMYD3 Q9H7B4 2/20 0.47
EHMT2 Q96KQ7 1/20 0.47
PYGL P06737 13/20 0.46
PYGM P11217 11/20 0.46
HRH4 Q9H3N8 1/20 0.45
NHERF1 O14745 1/20 0.44

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
SCHEMBL1573156 1.00 CNR2 (0.71) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL27807859 0.84 CNR2 (0.70) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL1572491 0.83 CNR2 (1.00) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL1572488 0.83 CNR2 (1.00) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL12601719 0.83 CNR2 (0.71) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL12650011 0.82 CNR2 (0.69) CNR2SMYD3EHMT2PYGLPYGM
SCHEMBL484594 0.75 WDR5 (0.47) CNR2PYGL
SCHEMBL6401932 0.73 MAPT (0.65) PYGLHRH4NHERF1
SCHEMBL1572570 0.73 CNR2 (0.81) CNR2PYGLPYGMHRH4
SCHEMBL12601700 0.73 CNR2 (0.57) 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 2865/4885EHMT2 2619/4885

“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.