SCHEMBL19762874

SCHEMBL19762874

C#CC[N+](C)(C)CC(=C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.39
ALDH1A1 P00352 1/20 0.34
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL22082472 0.84 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL22034572 0.83 BBOX1 (0.47) BBOX1ALDH1A1HTTSMN1; SMN2LMNA
Bromide SCHEMBL22034523 0.82 HTT (0.35) ALDH1A1HTT
SCHEMBL19762864 0.81 BBOX1 (0.44) BBOX1HTTSMN1; SMN2LMNARAB9A
Bromide SCHEMBL23877773 0.80 BBOX1 (0.43) BBOX1HTTSMN1; SMN2LMNARAB9A
SCHEMBL19762855 0.79 BBOX1 (0.42) BBOX1HTTSMN1; SMN2LMNARAB9A
SCHEMBL22034441 0.79 BBOX1 (0.39) BBOX1HTTSMN1; SMN2LMNARAB9A
Bromide SCHEMBL23877775 0.78 BBOX1 (0.41) BBOX1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL22034488 0.77 BBOX1 (0.38) BBOX1HTTSMN1; SMN2LMNARAB9A
SCHEMBL19762880 0.77 HTT (0.49) BBOX1HTTSMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels THE CLEVELAND CLINIC FOUNDATION (US) 2026-03-17 US disclosed
CN-109640967-B Method for inhibiting conversion of choline to Trimethylamine (TMA) 宝洁公司 2022-04-29 CN disclosed
US-11246844-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2022-02-15 US disclosed
US-11246844-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2022-02-15 US disclosed
EP-3478276-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2021-10-06 EP disclosed
US-20180000754-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2018-01-04 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 (3 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-11246844-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) HNMT, CHAT, BHMT BBOX1 157/4885ALDH1A1 1761/4885HTT 4035/4885
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels BHMT, BHMT2, EHMT2 BBOX1 413/4885ALDH1A1 1296/4885HTT 1960/4885
US-20180000754-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, CHAT, BHMT BBOX1 157/4885ALDH1A1 1761/4885HTT 4035/4885

“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.