SCHEMBL4456610

SCHEMBL4456610

CC(C)(C)c1cc(-c2cccc(C3CCN(C(=O)O)C(C(C)(C)C)C3)n2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.40
RXRA P19793 4/20 0.35
RXRB P28702 3/20 0.35
HTR1A P08908 3/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
RXRG P48443 2/20 0.32
KCNH2 Q12809 2/20 0.32
GRM5 P41594 2/20 0.31
GRM1 Q13255 2/20 0.31
RARG P13631 1/20 0.31
DGAT1 O75907 1/20 0.31
SCN9A Q15858 1/20 0.31
MPL P40238 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL4451812 0.92 FFAR4 (0.41) FFAR4RXRARXRBHTR1ADRD2
SCHEMBL4458992 0.85 FFAR4 (0.35) FFAR4HTR1ADRD2DRD4KCNH2
SCHEMBL29053049 0.81 DRD4 (0.37) HTR1ADRD2DRD4KCNH2LMNA
SCHEMBL4458385 0.78 RXRB (0.37) FFAR4RXRARXRBHTR1ADRD2
SCHEMBL4466566 0.76 KMO (0.38) RXRARXRBRXRGRARG
SCHEMBL4456613 0.74 GPR119 (0.48) THRB
SCHEMBL786550 0.72 RPS6KB1 (0.43) KCNH2SCN9A
SCHEMBL29136131 0.72 RIPK1 (0.49) DRD2KCNH2LMNA
SCHEMBL16634470 0.70 DRD2 (0.40) DRD2DRD4
SCHEMBL3985447 0.70 RIPK1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 FFAR4 212/4885RXRA 202/4885RXRB 139/4885

“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.