SCHEMBL4367898

SCHEMBL4367898

Cc1c(C(=O)O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1C[C@@]1(C)CCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CCR2 P41597 2/20 0.36
NOTUM Q6P988 3/20 0.35
MDM2 Q00987 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TRPV4 Q9HBA0 3/20 0.34
EIF4E P06730 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL4367901 1.00 CNR1 (0.46) CNR1CCR2NOTUMMDM2HCRTR1
SCHEMBL4367893 1.00 CNR1 (0.46) CNR1CCR2NOTUMMDM2HCRTR1
SCHEMBL4372633 0.90 CNR1 (0.46) CNR1HCRTR1HCRTR2MRGPRX4TRPV4
SCHEMBL4372621 0.78 CNR1 (0.56) CNR1CNR2L3MBTL1
SCHEMBL4372616 0.78 CNR1 (0.56) CNR1CNR2L3MBTL1
SCHEMBL4369412 0.78 CNR1 (0.49) CNR1NOTUMMDM2CNR2FFAR4
SCHEMBL4371268 0.77 CNR1 (0.54) CNR1MDM2CNR2CRHR1
SCHEMBL4372051 0.77 CNR1 (0.54) CNR1MDM2CNR2CRHR1
SCHEMBL3916541 0.76 CNR1 (0.73) CNR1NOTUMMDM2CNR2CRHR1
SCHEMBL3920795 0.76 CNR1 (0.55) CNR1NOTUMTRPV4CNR2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 CNR1 1/4885CCR2 292/4885NOTUM 655/4885

“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.