SCHEMBL18905948

SCHEMBL18905948

CCCCCC12CCC(C(=O)OC(C)(C)C)(CC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CCR2 P41597 1/20 0.39
IDH1 O75874 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SCN9A Q15858 2/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL4325284 0.81 CCR2 (0.44) CYP4F2CYP4A11CCR2IDH1DPP4
SCHEMBL13246788 0.78 CCR2 (0.47) CCR2IDH1DPP4FAPDPP7
SCHEMBL1555946 0.78 CYP4F2 (0.52) CYP4F2CYP4A11SPHK1CTSSCTSK
SCHEMBL26699654 0.78 CYP4F2 (0.38) CYP4F2CYP4A11CTSK
SCHEMBL13246789 0.77 CCR2 (0.46) CCR2IDH1DPP4FAPDPP7
SCHEMBL7184587 0.76 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL15177359 0.75 CCR2 (0.44) CCR2IDH1DPP4FAPDPP7
SCHEMBL836834 0.75 CCR2 (0.44) CYP4F2CYP4A11CCR2IDH1DPP4
Methylamine SCHEMBL6804391 0.75 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL9652423 0.74 CCR2 (0.43) CCR2IDH1

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-10786479-B2 Methods for inhibiting conversion of carnitine to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2020-09-29 US disclosed
US-10780072-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2020-09-22 US disclosed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US disclosed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US disclosed
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US disclosed
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 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 (4 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-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT CYP4F2 667/4885CYP4A11 520/4885CCR2 4077/4885
US-10780072-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) HNMT, BHMT, PNMT CYP4F2 667/4885CYP4A11 520/4885CCR2 4077/4885
US-10786479-B2 Methods for inhibiting conversion of carnitine to trimethylamine (TMA) CRAT, CPT1A, CPT1B CYP4F2 613/4885CYP4A11 887/4885CCR2 3610/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B CYP4F2 613/4885CYP4A11 887/4885CCR2 3610/4885

“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.