SCHEMBL4833154

SCHEMBL4833154

Cc1nc(N2CC3C(N)C3C2)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 6/20 0.39
PTPN11 Q06124 2/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
CRHR1 P34998 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL5380598 0.85 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL5608531 0.84 CNR1 (0.41) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL4836711 0.83 CNR2 (0.45) CNR2CNR1KMT2A
SCHEMBL4837519 0.82 CNR1 (0.46) CNR2CNR1PTPN11KMT2AMEN1
SCHEMBL5608810 0.82 KMT2A (0.49) CNR2KMT2AMEN1ALDH1A1NPC1
SCHEMBL4833170 0.80 KDM4E (0.42) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL4838030 0.80 CNR1 (0.40) CNR2CNR1PTPN11KMT2AMEN1
SCHEMBL4832926 0.80 CNR1 (0.45) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL8261401 0.80 CNR1 (0.45) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL4837890 0.79 CNR1 (0.41) CNR2CNR1PTPN11KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US claimed
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
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
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
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP 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
US-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites GRIFFEY RICHARD H (US) 2003-01-16 US disclosed
US-6441150-B1 GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6103891-A Method for the synthesis of nucleotide or oligonucleotide phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-08-15 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 (2 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-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites NUDT1, MTAP, PHOSPHO1 CNR2 4066/4885CNR1 4266/4885PTPN11 779/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885PTPN11 1819/4885

“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.