SCHEMBL6502626

SCHEMBL6502626

CC(C)CCC(c1nc2cc(CCN)ccc2[nH]1)n1c(=O)n(C(C)C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
TAAR1 Q96RJ0 1/20 0.34
KLK7 P49862 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A4 P31645 2/20 0.32
FFAR1 O14842 1/20 0.31
PPARA Q07869 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PRCP P42785 3/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL6245261 0.92 SCN10A (0.39) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6244320 0.92 SLC6A2 (0.39) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6504655 0.89 SLC6A2 (0.39) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6243782 0.88 SLC6A2 (0.39) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6241609 0.88 SLC6A2 (0.39) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6494315 0.88 SLC6A2 (0.40) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6491765 0.87 SLC6A2 (0.45) SLC6A2TAAR1KLK7POLBKDM4E
SCHEMBL6262136 0.84 SCN10A (0.40) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6246043 0.84 SLC6A2 (0.40) SLC6A2TAAR1KLK7SCN10APOLB
SCHEMBL6247442 0.83 SCN10A (0.41) SLC6A2TAAR1KLK7SCN10APOLB

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 SLC6A2 4457/4885TAAR1 4856/4885KLK7 4140/4885

“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.