SCHEMBL40648

SCHEMBL40648

O=[C]N(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.41
CYP2C19 P33261 1/20 0.40
CA2 P00918 1/20 0.39
CES1 P23141 1/20 0.39
AOC3 Q16853 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PYCR1 P32322 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL3246609 0.82 TAAR1 (0.44) CES1AOC3NR1H2NR1H3NPC1
SCHEMBL81123 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCA2AOC3NPC1
SCHEMBL26801 0.73 ALDH1A1 (0.60) ALDH1A1TSHRCYP2C19CA2AOC3
SCHEMBL3736957 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C19CA2CES1
Hydrochloric Acid SCHEMBL4483825 0.71 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1
SCHEMBL20740838 0.71 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1
Iodide SCHEMBL29093986 0.71 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CA2CES1
SCHEMBL250885 0.71 CES1 (0.53) ALDH1A1CYP2C19CES1NPC1RAB9A
SCHEMBL6648152 0.71 MEN1 (0.50) ALDH1A1CYP2C19CES1NPC1RAB9A
SCHEMBL2091370 0.70 NR3C1 (0.39) ALDH1A1TSHRCYP2C19USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101002758-B Use of composition for treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes NOVARTIS AG 2010-12-01 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20100076084-A1 Method of Treating Metabolic Disorders, Especially Diabetes, or a Disease or Condition Associated with Diabetes GATLIN MARJORIE REGAN 2010-03-25 US disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
EP-2011507-A2 Pharmaceutical composition of nateglinide and another antidiabetic agent Novartis AG (CH) 2009-01-07 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20070275928-A1 METHOD OF TREATING METABOLIC DISORDERS, ESPECIALLY DIABETES, OR A DISEASE OR CONDITION ASSOCIATED WITH DIABETES GATLIN MARJORIE R 2007-11-29 US disclosed
CN-101002758-A Method of treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes NOVARTIS AG (CH) 2007-07-25 CN disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-20030162816-A1 Method of treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes GATLIN MARJORIE REGAN (US) 2003-08-28 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-6559188-B1 Method of treating metabolic disorders especially diabetes, or a disease or condition associated with diabetes NOVARTIS AG (CH) 2003-05-06 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1212077-A2 PHARMACEUTICAL COMPOSITION OF NATEGLINIDE AND ANOTHER ANTIDIABETIC AGENT Novartis AG (CH) 2002-06-12 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
WO-2001021159-A2 PHARMACEUTICAL COMPOSITION OF NATEGLINIDE AND ANOTHER ANTIDIABETCAGENT NOVARTIS AG (CH) 2001-03-29 WO disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 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 (6 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-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 ALDH1A1 3177/4885TSHR 163/4885CYP2C19 1595/4885
US-20100076084-A1 Method of Treating Metabolic Disorders, Especially Diabetes, or a Disease or Condition Associated with Diabetes SLC2A2, TREH, GOT2 ALDH1A1 452/4885TSHR 354/4885CYP2C19 1674/4885
US-20070275928-A1 METHOD OF TREATING METABOLIC DISORDERS, ESPECIALLY DIABETES, OR A DISEASE OR CONDITION ASSOCIATED WITH DIABETES SLC2A2, TREH, GOT2 ALDH1A1 452/4885TSHR 354/4885CYP2C19 1674/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885TSHR 1173/4885CYP2C19 2178/4885
US-20030162816-A1 Method of treating metabolic disorders, especially diabetes, or a disease or condition associated with diabetes SLC2A2, SLC2A1, PPARD ALDH1A1 214/4885TSHR 358/4885CYP2C19 2052/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885TSHR 2306/4885CYP2C19 2422/4885

“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.