SCHEMBL6771829

SCHEMBL6771829

[CH2]c1cccc(C[N+]2(C)CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.61
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCR5 P51681 6/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6770769 0.85 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4CCR5ACHE
SCHEMBL3259408 0.79 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4
SCHEMBL674393 0.79 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4CCR5ACHE
SCHEMBL6771307 0.77 BCHE (0.42) CHRNA7ACHEBCHE
SCHEMBL6767869 0.77 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4CCR5CTDSP1
SCHEMBL3681307 0.77 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4CCR5ACHE
Hydrochloric Acid SCHEMBL2458828 0.75 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4CCR5ACHE
SCHEMBL10256901 0.75 CHRNB2 (0.61) CHRNA7CHRNB2CHRNA4CCR5KDM4E
Iodide SCHEMBL3691022 0.75 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4CCR5KDM4E
Water SCHEMBL3683454 0.75 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4CCR5ACHE

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.