SCHEMBL7216957

SCHEMBL7216957

COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.69
CNR1 P21554 4/20 0.69
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL7223428 0.94 CNR2 (0.67) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7218530 0.93 CNR2 (0.62) CNR2CNR1
SCHEMBL7218675 0.93 CNR2 (0.65) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7218743 0.92 CNR2 (0.70) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7224319 0.90 CNR2 (0.71) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7641363 0.90 CNR2 (0.69) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7223446 0.89 CNR2 (0.57) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7224514 0.88 CNR2 (0.65) CNR2CNR1
SCHEMBL7222304 0.87 CNR2 (0.61) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7223393 0.87 CNR2 (0.65) CNR2CNR1ITGB1ITGA4ITGB7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP claimed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US claimed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 WO claimed
US-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ITGB1 3682/4885

“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.