SCHEMBL7792968

SCHEMBL7792968

CC[N]Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
ACP3 P15309 1/20 0.43
NQO2 P16083 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6008057 0.89 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL8851492 0.85 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL3623945 0.82 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL1680418 0.79 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL30365968 0.76 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL47 0.76 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL16623289 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL16217107 0.75 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL18381479 0.75 CYP2C19 (0.52) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL6989114 0.74 CYP2D6 (0.48) CYP1A2CYP2C19CYP2D6CYP2C9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6319904-B1 USEFUL AS AN ANTIULCER AGENT, SHOWING POTENT ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
US-20010027192-A1 Formulation comprising antibacterial substance and antiulcer substance AKIYAMA YOHKO (JP) 2001-10-04 US disclosed
EP-0642797-B1 Formulation comprising antibacterial substance and antiulcer substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-17 EP disclosed
EP-0995447-A1 Formulation comprising antibacterial substance and antiulcer substance TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-26 EP disclosed
US-5948773-A Formulation comprising antibacterial substance and antiulcer substance TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed
WO-1996038175-A1 STABILIZED COMPOSITION COMPRISING AN ANTIULCERATIVE BENZIMIDAZOLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-05 WO disclosed
US-5536735-A BENZIMIDAZOLE ANTIULCER AGENT, WATER SOLUBLE HETEROCYCLIC CARBOXYLIC AMIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-16 US disclosed
WO-1996007421-A2 AN ANTIULCER MEDICINE COMPRISING A PROTEIN POSSESSING ALL GROWTH FACTOR ACTIVITY AND A PROTON PUMP INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-14 WO disclosed
EP-0649655-A1 Injectable solutions containing anti-ulcer benzimidazoles and amides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed
EP-0645390-A1 Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1995-03-29 EP disclosed
EP-0642797-A1 Formulation comprising antibacterial substance and antiulcer substance Takeda Chemical Industries, Ltd. (JP) 1995-03-15 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-20010027192-A1 Formulation comprising antibacterial substance and antiulcer substance FABP6, VIP, FABP2 CYP1A2 1720/4885CYP2C19 825/4885CYP2D6 720/4885

“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.