SCHEMBL6246552

SCHEMBL6246552

CC(C)CCn1c(Cn2c(=O)n(C3CC3)c(=O)c3ccccc32)nc2cc(C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 1/20 0.47
PTGER4 P35408 13/20 0.44
CYP3A4 P08684 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 1/20 0.42
IDH1 O75874 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
SCHEMBL6242839 0.91 CNR2 (0.51) BCHEACHEPTGER4CYP3A4CNR2
SCHEMBL6242050 0.87 CYP3A4 (0.46) BCHEACHECYP3A4
SCHEMBL6264028 0.86 NPSR1 (0.45) BCHEACHECYP3A4
SCHEMBL6245024 0.84 NPSR1 (0.44) BCHEACHECYP3A4CNR2
SCHEMBL6245226 0.82 BCHE (0.42) BCHEACHECYP3A4CNR2KDM4E
SCHEMBL6245190 0.81 CNR2 (0.43) BCHEACHECYP3A4CNR2CNR1
SCHEMBL6243630 0.81 BCHE (0.52) BCHEACHEPTGER4CNR2CNR1
SCHEMBL16696092 0.76 OPRL1 (0.48) CYP3A4KDM4E
SCHEMBL7746055 0.75 CYP3A4 (0.72) CYP3A4CNR2KDM4E
SCHEMBL7741764 0.75 TSHR (0.52) CNR2KDM4E

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 5 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
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 BCHE 3508/4885ACHE 4709/4885PTGER4 2443/4885

“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.