SCHEMBL6500097

SCHEMBL6500097

CC(C)CCn1c(Cn2c(=O)n(Cc3nc4cc(CN)ccc4n3CCC(C)C)c3cnccc32)nc2cc(CN)ccc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
CYP3A4 P08684 1/20 0.41
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL31069352 0.94 CNR2 (0.41) CNR2CYP3A4BCHEACHE
SCHEMBL31069353 0.93 CNR2 (0.38) CNR2CYP3A4
SCHEMBL6244730 0.89 CYP3A4 (0.56) CNR2CYP3A4BCHE
SCHEMBL31069286 0.89 CYP3A4 (0.56) CNR2CYP3A4BCHE
SCHEMBL6276891 0.85 CNR2 (0.40) CNR2BCHEACHE
SCHEMBL6244317 0.82 TSHR (0.46) CNR2BCHEACHETSHRMAPK1
SCHEMBL31069303 0.82 CYP3A4 (0.42) CYP3A4
SCHEMBL31069341 0.81 CYP3A4 (0.40) CYP3A4
SCHEMBL31069380 0.81 CYP3A4 (0.41) CYP3A4
SCHEMBL31069336 0.81 CYP3A4 (0.45) CYP3A4

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 4156/4885CYP3A4 215/4885BCHE 3508/4885

“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.