SCHEMBL6498526

SCHEMBL6498526

CC(C)CCn1c(Cn2c(=O)n(C(=O)OC(C)(C)C)c3cnccc32)nc2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.36
BCHE P06276 6/20 0.36
CNR1 P21554 4/20 0.35
OPRM1 P35372 1/20 0.35
ALOX5AP P20292 1/20 0.35
S1PR1 P21453 1/20 0.34
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6372106 0.81 KDM4E (0.41) CNR2BCHECNR1OPRM1ALOX5AP
SCHEMBL6241391 0.81 MEN1 (0.46) CNR2BCHECYP3A4ACHE
SCHEMBL6244070 0.79 CYP3A4 (0.55) CNR2BCHECNR1ALOX5APS1PR1
SCHEMBL6245661 0.76 ALOX5AP (0.42) CNR2BCHECNR1ALOX5APACHE
SCHEMBL6247536 0.76 CNR2 (0.37) CNR2BCHEALOX5APS1PR1ACHE
SCHEMBL6498532 0.75 AAK1 (0.34) S1PR1
SCHEMBL6243895 0.74 TSHR (0.45) CNR2BCHEALOX5APACHE
SCHEMBL6216622 0.71 ALOX5AP (0.37) CNR2ALOX5APS1PR1
SCHEMBL6500097 0.71 CNR2 (0.42) CNR2BCHECYP3A4ACHE
SCHEMBL3731009 0.71 CNR2 (0.47) CNR2BCHECNR1OPRM1ALOX5AP

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-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 CNR2 4156/4885BCHE 3508/4885CNR1 4063/4885

“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.