SCHEMBL1572545

SCHEMBL1572545

CC1(C)Cc2ccc(C#N)cc2C1NC(=O)c1cc2cc(N)ccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.80
PYGL P06737 4/20 0.46
PYGM P11217 4/20 0.46
GHSR Q92847 1/20 0.44
DRD2 P14416 9/20 0.40
DRD3 P35462 9/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP2D6 P10635 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
ROCK2 O75116 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MLLT1 Q03111 1/20 0.36
DRD4 P21917 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
SCHEMBL1573069 1.00 CNR2 (0.80) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572570 0.90 CNR2 (0.81) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572945 0.90 CNR2 (0.81) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572567 0.90 CNR2 (0.81) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572553 0.89 CNR2 (0.80) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572554 0.89 CNR2 (0.80) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572488 0.89 CNR2 (1.00) CNR2PYGLPYGMHRH4SMYD3
SCHEMBL1572491 0.89 CNR2 (1.00) CNR2PYGLPYGMHRH4SMYD3
SCHEMBL1572622 0.88 CNR2 (0.78) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572620 0.88 CNR2 (0.78) CNR2PYGLPYGMGHSRDRD2

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 7 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-7943658-B2 Indole indane amide compounds useful as CB2 agonists and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
EP-2176221-B1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-2176221-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD Bristol-Myers Squibb Company (US) 2010-04-21 EP disclosed
US-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
WO-2009015169-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 WO 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 1/4885PYGL 3829/4885PYGM 3584/4885

“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.