SCHEMBL5454849

SCHEMBL5454849

O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2OCCN1CC(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 1.00
ADRB2 P07550 1/20 0.86
ADRA2A P08913 1/20 0.86
AGTR1 P30556 1/20 0.86
GLP1R P43220 1/20 0.86
CX3CR1 P49238 1/20 0.86
FFAR4 Q5NUL3 1/20 0.86
ADGRF1 Q5T601 1/20 0.86
GPR119 Q8TDV5 1/20 0.86
CNR2 P34972 5/20 0.55

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
SCHEMBL1315434 0.93 CNR1 (1.00) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5468091 0.91 CNR1 (0.83) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5469436 0.91 CNR1 (1.00) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5459428 0.91 CNR1 (0.83) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5459855 0.85 CNR1 (0.85) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL1846007 0.84 CNR1 (0.73) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5348509 0.83 CNR1 (1.00) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5461341 0.83 CNR1 (0.85) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5342711 0.81 CNR1 (0.81) CNR1ADRB2ADRA2AAGTR1GLP1R
SCHEMBL5463031 0.81 CNR1 (0.72) CNR1ADRB2ADRA2AAGTR1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151097-B2 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. (US) 2006-12-19 US claimed
EP-1682554-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF Pfizer Products Incorporated (US) 2006-07-26 EP claimed
WO-2005044822-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-05-19 WO claimed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US claimed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-7151097-B2 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. (US) 2006-12-19 US disclosed
EP-1682554-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF Pfizer Products Incorporated (US) 2006-07-26 EP disclosed
WO-2005044822-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-05-19 WO disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 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 (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-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF CNR2, CNR1, GPR18 CNR1 2/4885ADRB2 100/4885ADRA2A 244/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885ADRB2 100/4885ADRA2A 244/4885

“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.