SCHEMBL4841460

SCHEMBL4841460

Cc1nc(NCCN2CCOCC2)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
USP2 O75604 3/20 0.54
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 4/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 5/20 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
SCHEMBL5395449 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDUSP2CYP1A2
SCHEMBL4834043 0.83 CRHR1 (0.43) HPGDMAPTPOLB
SCHEMBL5608810 0.81 KMT2A (0.49) ALDH1A1HSD17B10MAPK1MEN1KMT2A
SCHEMBL4832921 0.79 CRHR1 (0.39) ALDH1A1MAPK1MAPTKDM4ENPC1
SCHEMBL4841371 0.79 MAPT (0.44) ALDH1A1HPGDCYP3A4SMN1; SMN2TSHR
SCHEMBL4842348 0.78 CRHR1 (0.40) ALDH1A1MAPK1MAPTKDM4ERAB9A
SCHEMBL4844544 0.77 CRHR1 (0.45) MAPT
SCHEMBL8261401 0.75 CNR1 (0.45) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL4832926 0.75 CNR1 (0.45) ALDH1A1HSD17B10HPGDTSHRMEN1
SCHEMBL4836711 0.74 CNR2 (0.45) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502808-A 2007-02-15 JP claimed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP claimed
EP-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP claimed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
WO-2004098580-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US claimed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US claimed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP disclosed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP disclosed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US disclosed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1683/4885HSD17B10 2817/4885HPGD 1567/4885

“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.