SCHEMBL3476037

SCHEMBL3476037

CC(C)(Oc1ccc(C(F)(F)Br)cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
CNR1 P21554 7/20 0.41
CNR2 P34972 1/20 0.41
PPARA Q07869 5/20 0.40
PPARD Q03181 4/20 0.40
PPARG P37231 3/20 0.40
LMNA P02545 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPE Q05469 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL201045 0.89 LMNA (0.50) MAP4K4CNR1CNR2PPARAPPARD
Hydrochloric Acid SCHEMBL199908 0.88 LMNA (0.49) MAP4K4CNR1CNR2PPARAPPARD
SCHEMBL3474425 0.80 MAP4K4 (0.48) MAP4K4PPARAPPARDPPARGCYP4F2
SCHEMBL1046555 0.80 MAP4K4 (0.48) MAP4K4PPARAPPARDPPARGCYP4F2
SCHEMBL3475307 0.78 MAP4K4 (0.49) MAP4K4PPARAPPARDPPARGCYP4F2
SCHEMBL3475308 0.77 MAP4K4 (0.46) MAP4K4CNR1CNR2PPARAPPARD
SCHEMBL2824496 0.76 MAP4K4 (0.61) MAP4K4CNR1CNR2PPARAPPARD
SCHEMBL13577681 0.76 CYP4F2 (0.49) MAP4K4CNR1CNR2PPARAPPARD
SCHEMBL3584331 0.76 KMT2A (0.51) CNR1CNR2LMNAKMT2ALIPE
SCHEMBL199907 0.76 LMNA (0.49) CNR1CNR2LMNAKMT2ALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO 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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH MAP4K4 2487/4885CNR1 1/4885CNR2 2/4885

“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.