SCHEMBL4376155

SCHEMBL4376155

Cc1c(C(=O)O)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1COC(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
PTGER1 P34995 2/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
DHODH Q02127 1/20 0.35
NOTUM Q6P988 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MAPK14 Q16539 1/20 0.34
MDM2 Q00987 2/20 0.33
SORT1 Q99523 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL4369412 0.90 CNR1 (0.49) CNR1ALDH1A1KDM4EHPGDTSHR
SCHEMBL4373504 0.86 CNR1 (0.50) CNR1ALDH1A1HPGDCNR2NPSR1
SCHEMBL4374059 0.82 CNR1 (0.44) CNR1ALDH1A1TSHRCNR2
SCHEMBL4368626 0.82 CNR1 (0.44) CNR1ALDH1A1TSHRCNR2
SCHEMBL4374056 0.82 CNR1 (0.44) CNR1ALDH1A1TSHRCNR2
SCHEMBL3919267 0.81 CNR1 (0.52) CNR1CNR2PTGER1LIPCLIPG
SCHEMBL4372987 0.80 CNR1 (0.39) CNR1ALDH1A1KDM4EHPGDTSHR
SCHEMBL3922373 0.79 CNR1 (0.59) CNR1CNR2PTGER1LIPCLIPG
SCHEMBL4367963 0.77 CNR1 (0.47) CNR1ALDH1A1KDM4EHPGDTSHR
SCHEMBL4371262 0.77 CNR1 (0.61) CNR1

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 1/4885ALDH1A1 1201/4885KDM4E 2392/4885

“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.