SCHEMBL3922656

SCHEMBL3922656

O=C(CBr)c1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PNLIP P16233 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
P2RX1 P51575 1/20 0.40
LCLAT1 Q6UWP7 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAP2 P11137 1/20 0.39
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
ALPL P05186 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 1/20 0.38
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL28758200 0.85 ANO1 (0.45) ANO1TSHRPNLIPCYP11B1CYP11B2
SCHEMBL2115556 0.84 TSHR (0.53) ANO1GAATSHRPNLIPCYP11B1
SCHEMBL29646503 0.84 TSHR (0.53) ANO1GAATSHRPNLIPCYP11B1
SCHEMBL3925476 0.83 MAOA (0.42) GSK3BALPLHPGDS
SCHEMBL3709958 0.80 ANO1 (0.42) ANO1CYP11B1CYP11B2HTR2AHTR2C
SCHEMBL2308262 0.80 LMNA (0.59) GAATSHRLMNAMAPTMAPK1
SCHEMBL31743138 0.80 MAP2 (0.50) ANO1GAAPNLIPCYP11B1CYP11B2
SCHEMBL22980173 0.79 ALDH1A1 (0.57) ANO1PNLIPP2RX1LCLAT1MAP2
SCHEMBL29646468 0.79 ALDH1A1 (0.57) ANO1PNLIPP2RX1LCLAT1MAP2
SCHEMBL17282253 0.79 MAPT (0.44) GSK3BGAATSHRCYP11B1LCLAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 ANO1 1053/4885GSK3B 2533/4885GAA 4346/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ANO1 1126/4885GSK3B 2809/4885GAA 4342/4885

“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.