SCHEMBL6767976

SCHEMBL6767976

[CH2]c1ccccc1C[N+]1(C)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
APOBEC3A P31941 4/20 0.35
APOBEC3G Q9HC16 4/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
CYP2D6 P10635 1/20 0.35
USP2 O75604 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
TERT O14746 2/20 0.33
PABPC1 P11940 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
Hydrochloric Acid SCHEMBL9771635 0.78 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1961848 0.74 APOBEC3A (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Water SCHEMBL4082000 0.73 APOBEC3A (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL10751415 0.73 APOBEC3A (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL10751445 0.73 APOBEC3A (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10257015 0.73 APOBEC3A (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6773387 0.71 CHRNA7 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8558877 0.71 CNR1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6770769 0.70 CHRNA7 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Water SCHEMBL26627017 0.67 CHRNA7 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 CHRNB2 4501/4885CHRNB4 4076/4885CHRNA3 4254/4885

“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.