SCHEMBL6770769

SCHEMBL6770769

[CH2]c1cccc(C[N+]2(C)CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.45
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CCR5 P51681 2/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
TERT O14746 3/20 0.32
USP2 O75604 1/20 0.32
PABPC1 P11940 1/20 0.32
ACHE P22303 2/20 0.32
AGXT P21549 1/20 0.31
BCHE P06276 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
SCHEMBL6771829 0.85 CHRNA7 (0.61) CHRNA7APOBEC3AAPOBEC3GCTDSP1CCR5
SCHEMBL6773387 0.80 CHRNA7 (0.43) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
SCHEMBL1961848 0.79 APOBEC3A (0.48) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
Water SCHEMBL4082000 0.78 APOBEC3A (0.47) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
Hydrochloric Acid SCHEMBL10751415 0.78 APOBEC3A (0.47) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
SCHEMBL10257015 0.78 APOBEC3A (0.47) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
Bromide SCHEMBL10751445 0.78 APOBEC3A (0.47) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
SCHEMBL6771307 0.73 BCHE (0.42) CHRNA7ACHEBCHE
SCHEMBL12682901 0.70 CHRNA7 (0.44) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1
SCHEMBL6767976 0.70 CHRNB2 (0.37) CHRNA7APOBEC3AAPOBEC3GCYP2D6CTDSP1

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 4408/4885APOBEC3A 1671/4885APOBEC3G 2173/4885

“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.