SCHEMBL6776456

SCHEMBL6776456

N[C@@H](c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KCNA5 P22460 3/20 0.37
TSHR P16473 2/20 0.37
KCNE1 P15382 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6775380 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL6530520 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL589267 0.90 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL3384423 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
SCHEMBL6766141 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
SCHEMBL2111803 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
Hydrochloric Acid SCHEMBL7226415 0.82 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
Hydrochloric Acid SCHEMBL1421214 0.82 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
Hydrochloric Acid SCHEMBL4509965 0.82 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
SCHEMBL10557226 0.81 SLC6A2 (0.51) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA

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-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 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-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP SLC6A3 3302/4885SLC6A2 2815/4885SLC6A4 3934/4885

“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.