SCHEMBL4383399

SCHEMBL4383399

CC(=O)OC1C(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)n(CC3CCCO3)c2C)C2CCC1(C)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 14/20 0.36
TSHR P16473 1/20 0.36
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
PRKACA P17612 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCD Q05655 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34

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
SCHEMBL4380363 1.00 CNR1 (0.41) CNR1CNR2TSHRPRKCGPRKCB
SCHEMBL4379580 0.83 CNR1 (0.51) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL4375139 0.83 CNR2 (0.38) CNR1CNR2TSHR
SCHEMBL4374057 0.81 TSHR (0.37) CNR1CNR2TSHRTDP1L3MBTL1
SCHEMBL4369702 0.80 CNR1 (0.53) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL5615341 0.78 CNR1 (0.66) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL4371133 0.77 CNR1 (0.44) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL4371132 0.77 CNR1 (0.44) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL4371543 0.73 CNR1 (0.53) CNR1CNR2TSHRNPC1RAB9A
SCHEMBL4376045 0.72 TSHR (0.42) CNR1CNR2TSHRTDP1L3MBTL1

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 1/4885CNR2 2/4885TSHR 497/4885

“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.