SCHEMBL6767869

SCHEMBL6767869

[CH2]c1ccc(C[N+]2(C)CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.61
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
CCR5 P51681 11/20 0.33
F10 P00742 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL22767607 0.89 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4CCR5F10
SCHEMBL15429134 0.87 CHRNB2 (0.74) CHRNA7CHRNB2CHRNA4CCR5PABPC1
SCHEMBL6773387 0.82 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4CCR5PABPC1
SCHEMBL14951084 0.81 CHRNB2 (0.67) CHRNA7CHRNB2CHRNA4CCR5
SCHEMBL1983107 0.79 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4CCR5
SCHEMBL12682791 0.79 CHRNB2 (0.65) CHRNA7CHRNB2CHRNA4CCR5APOBEC3A
SCHEMBL17853859 0.79 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4CCR5PABPC1
SCHEMBL3681307 0.78 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4CCR5PABPC1
SCHEMBL20017818 0.78 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4CCR5PABPC1
SCHEMBL6771829 0.77 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4CCR5PABPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 CHRNA7 4408/4885CHRNB2 4501/4885CHRNA4 3735/4885

“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.