SCHEMBL477642

SCHEMBL477642

CCOc1ccc(C(F)(F)F)cc1C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
RXFP1 Q9HBX9 1/20 0.46
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CES2 O00748 1/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL477612 0.86 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL1546638 0.86 CYP2C19 (0.49) CYP2C19CYP1A2CYP2C9RXFP1MAPT
SCHEMBL983425 0.84 CYP1A2 (0.57) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL16958277 0.83 CYP2C19 (0.58) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL344681 0.83 MAPT (0.48) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL27781836 0.80 KDM4E (0.61) CYP2C19CYP1A2CYP2C9MAPTATM
SCHEMBL11287767 0.80 MRGPRX1 (0.49) SCN8ASCN10AL3MBTL1ALDH1A1CYP3A4
SCHEMBL2643391 0.79 CYP1A2 (0.55) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL16957026 0.79 CYP2C19 (0.55) CYP2C19CYP1A2CYP2C9RXFP1SCN8A
SCHEMBL3385153 0.78 TSHR (0.50) CYP2C19CYP1A2LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CYP2C19 707/4885CYP1A2 590/4885CYP2C9 919/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CYP2C19 356/4885CYP1A2 365/4885CYP2C9 404/4885

“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.