SCHEMBL6987800

SCHEMBL6987800

O=C(c1nc2ccc(C(F)(F)F)cc2nc1O)N1CCC[C@H]1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.54
HRH3 Q9Y5N1 6/20 0.43
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
NAMPT P43490 1/20 0.41
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
SCN9A Q15858 1/20 0.40
ENPP2 Q13822 1/20 0.37
CCR1 P32246 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
SCHEMBL6994342 0.92 FABP4 (0.50) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL6989430 0.89 HCRTR1 (0.50) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL6987822 0.86 FABP4 (0.52) FABP4HRH3RHOCRHOANAMPT
SCHEMBL6993144 0.86 FABP4 (0.52) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL3700092 0.86 FABP4 (0.67) FABP4NAMPTHCRTR1HCRTR2
SCHEMBL3700088 0.86 FABP4 (0.67) FABP4NAMPTHCRTR1HCRTR2
SCHEMBL6990522 0.85 NAMPT (0.47) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL6993998 0.85 HCRTR1 (0.44) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL6989837 0.85 FABP4 (0.58) FABP4HRH3NAMPTHCRTR1HCRTR2
SCHEMBL6991732 0.85 FABP4 (0.62) FABP4HRH3NAMPTHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 FABP4 1/4885HRH3 4807/4885RHOC 3800/4885

“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.