SCHEMBL1572622

SCHEMBL1572622

CC1(C)Cc2ccc(C#N)cc2C1NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.78
DRD2 P14416 8/20 0.51
DRD3 P35462 8/20 0.51
CYP2D6 P10635 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
PYGL P06737 3/20 0.48
PYGM P11217 3/20 0.48
GHSR Q92847 3/20 0.42
KCNH2 Q12809 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
CCKBR P32239 1/20 0.41

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
SCHEMBL1572620 1.00 CNR2 (0.78) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1572570 0.89 CNR2 (0.81) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1572567 0.89 CNR2 (0.81) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1572945 0.89 CNR2 (0.81) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1572488 0.88 CNR2 (1.00) CNR2PYGLPYGM
SCHEMBL1572545 0.88 CNR2 (0.80) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1573069 0.88 CNR2 (0.80) CNR2DRD2DRD3CYP2D6HTR1D
SCHEMBL1572554 0.88 CNR2 (0.80) CNR2DRD2DRD3PYGLPYGM
SCHEMBL1572553 0.88 CNR2 (0.80) CNR2DRD2DRD3PYGLPYGM
SCHEMBL1572491 0.88 CNR2 (1.00) CNR2PYGLPYGM

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 1/4885DRD2 379/4885DRD3 327/4885

“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.