SCHEMBL12601717

SCHEMBL12601717

[C-]#[N+]c1ccc2c(c1)[C@H](NC(=O)c1cc3ccccc3[nH]1)C(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
PYGL P06737 3/20 0.43
PYGM P11217 3/20 0.43
KCNH2 Q12809 2/20 0.42
GHSR Q92847 2/20 0.42
OPRM1 P35372 1/20 0.42
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
CCKBR P32239 1/20 0.39
EGFR P00533 2/20 0.38

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
SCHEMBL12601700 0.89 CNR2 (0.57) CNR2PYGLPYGMCCKBR
SCHEMBL12601714 0.89 CNR2 (0.57) CNR2PYGLPYGMCCKBR
SCHEMBL12601719 0.88 CNR2 (0.71) CNR2PYGLPYGM
SCHEMBL12601721 0.88 CNR2 (0.56) CNR2PYGLPYGMGHSRKDM4E
SCHEMBL12601713 0.88 CNR2 (0.56) CNR2PYGLPYGMKCNH2GHSR
SCHEMBL12601722 0.85 CNR2 (0.54) CNR2PYGLPYGMKDM4EALDH1A1
SCHEMBL1572620 0.82 CNR2 (0.78) CNR2PYGLPYGMKCNH2GHSR
SCHEMBL1572622 0.82 CNR2 (0.78) CNR2PYGLPYGMKCNH2GHSR
SCHEMBL12601718 0.82 CNR2 (0.51) CNR2PYGLPYGMGHSROPRM1
SCHEMBL1572570 0.71 CNR2 (0.81) 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 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 1/4885PYGL 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.