SCHEMBL19762880

SCHEMBL19762880

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
BBOX1 O75936 2/20 0.43
TSHR P16473 4/20 0.37
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.30

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
Bromide SCHEMBL23877787 0.98 HTT (0.51) HTTBBOX1TSHRGAAHSD17B10
SCHEMBL23890389 0.82 BBOX1 (0.42) HTTBBOX1GAASMN1; SMN2LMNA
SCHEMBL19762864 0.80 BBOX1 (0.44) HTTBBOX1GAASMN1; SMN2LMNA
SCHEMBL22082548 0.80 BBOX1 (0.53) HTTBBOX1TSHRGAAHSD17B10
Bromide SCHEMBL23877773 0.79 BBOX1 (0.43) HTTBBOX1GAASMN1; SMN2LMNA
SCHEMBL19762874 0.77 BBOX1 (0.39) HTTBBOX1GAASMN1; SMN2LMNA
SCHEMBL22034488 0.76 BBOX1 (0.38) HTTBBOX1GAASMN1; SMN2LMNA
SCHEMBL19762857 0.76 BBOX1 (0.47) HTTBBOX1TSHRGAAHSD17B10
Bromide SCHEMBL22034522 0.74 BBOX1 (0.46) HTTBBOX1GAASMN1; SMN2LMNA
Bromide SCHEMBL22034579 0.74 BBOX1 (0.48) HTTBBOX1TSHRGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 HTT 4035/4885BBOX1 157/4885TSHR 3196/4885
US-20180000754-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, CHAT, BHMT HTT 4035/4885BBOX1 157/4885TSHR 3196/4885

“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.