SCHEMBL6245220

SCHEMBL6245220

CC(C)(C)OC(=O)NCc1ccc2c(c1)nc(CO)n2CCCCF

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
GNRHR P30968 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
STING1 Q86WV6 6/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
BRD4 O60885 3/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3734568 0.90 GRM2 (0.46) GRM2GNRHRHDAC1HDAC8STING1
SCHEMBL31069435 0.88 GRM2 (0.47) GRM2GNRHRHDAC1HDAC8CYP3A4
SCHEMBL6493464 0.87 GRM2 (0.42) GRM2GNRHRHDAC1HDAC8STING1
SCHEMBL6242216 0.87 GNRHR (0.43) GRM2GNRHRHDAC1HDAC8STING1
SCHEMBL6218923 0.85 CNR2 (0.49) GRM2HDAC1HDAC8CNR2
SCHEMBL6243389 0.82 GNRHR (0.41) GRM2GNRHRSTING1CYP2D6L3MBTL1
SCHEMBL7879921 0.81 GNRHR (0.43) GRM2GNRHRHDAC1HDAC8STING1
SCHEMBL6247921 0.81 GNRHR (0.41) GRM2GNRHRSTING1CNR2POLB
SCHEMBL6243686 0.80 CYP3A4 (0.43) GRM2GNRHRSTING1CYP3A4CYP2D6
SCHEMBL2868995 0.79 STING1 (0.41) GRM2GNRHRHDAC1HDAC8STING1

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-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 GRM2 2811/4885GNRHR 4664/4885HDAC1 807/4885

“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.