SCHEMBL1572554

SCHEMBL1572554

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.80
MLLT1 Q03111 1/20 0.49
PYGL P06737 3/20 0.46
PYGM P11217 2/20 0.46
GHSR Q92847 2/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1572553 1.00 CNR2 (0.80) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1572567 0.90 CNR2 (0.81) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1572945 0.90 CNR2 (0.81) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1572570 0.90 CNR2 (0.81) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1573069 0.89 CNR2 (0.80) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1572491 0.89 CNR2 (1.00) CNR2PYGLPYGMHRH4
SCHEMBL1572488 0.89 CNR2 (1.00) CNR2PYGLPYGMHRH4
SCHEMBL1572545 0.89 CNR2 (0.80) CNR2MLLT1PYGLPYGMGHSR
SCHEMBL1572620 0.88 CNR2 (0.78) CNR2PYGLPYGMGHSRDRD2
SCHEMBL1572622 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 3 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
EP-2176221-B1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP 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 1/4885MLLT1 618/4885PYGL 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.