SCHEMBL1734529

SCHEMBL1734529

CC/C=N/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.45
ALDH1A1 P00352 3/20 0.45
NOS3 P29474 3/20 0.45
LMNA P02545 2/20 0.45
NOS2 P35228 2/20 0.45
BLM P54132 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
PLAU P00749 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL1734530 1.00 NOS1 (0.45) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL23644553 0.85 NOS1 (0.43) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL10432489 0.82 CYP2C9 (0.40) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL28380319 0.82 NOS1 (0.41) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL8989195 0.78 HTR3E (0.41) NOS1ALDH1A1NOS3LMNANOS2
Hydrochloric Acid SCHEMBL8989160 0.77 HTR3E (0.40) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL7625151 0.77 MAPT (0.47) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL29220713 0.74 PTGS2 (0.48) ALDH1A1LMNAMAPK1MAPTHTR3E
SCHEMBL11982401 0.74 CYP2C9 (0.48) NOS1ALDH1A1NOS3LMNANOS2
SCHEMBL10119196 0.74 CYP2C9 (0.48) NOS1ALDH1A1NOS3LMNANOS2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US claimed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP claimed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US claimed
CN-101466679-A Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORP (JP) 2009-06-24 CN claimed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP claimed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO claimed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO disclosed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-6489478-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INHIBITORS AND THE USE OF SUCH INHIBITORS TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN PFIZER INC. 2002-12-03 US disclosed
EP-1114032-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
EP-1114031-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
US-6197786-B1 ANTICHOLESTEROL AGENTS PFIZER INC 2001-03-06 US disclosed
US-6140343-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS WHICH ARE USED TO ELEVATE HIGHDENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER LOW DENSITY LIPOPROTEIN-CHOLESTEROL AND TRIGLYCERIDES; FOR TREATING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, OBESITY PFIZER (US) 2000-10-31 US disclosed
WO-2000017165-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO disclosed
WO-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO 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-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 NOS1 212/4885ALDH1A1 2381/4885NOS3 93/4885

“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.