SCHEMBL4458385

SCHEMBL4458385

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.37
RXRA P19793 8/20 0.37
RXRG P48443 4/20 0.34
FFAR4 Q5NUL3 3/20 0.32
MPL P40238 2/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HSD11B1 P28845 1/20 0.31
RARG P13631 1/20 0.30
SLC5A1 P13866 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30

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
SCHEMBL4462828 0.86 ADORA2A (0.36) FFAR4HTR1ADRD2DRD4
SCHEMBL4456610 0.78 FFAR4 (0.40) RXRBRXRARXRGFFAR4MPL
SCHEMBL6769067 0.73 MCL1 (0.35) DRD2
SCHEMBL10475874 0.72 GRM1 (0.35)
SCHEMBL4458384 0.72 GRM1 (0.54)
SCHEMBL4153075 0.70 CHRNB2 (0.39)
SCHEMBL4451812 0.70 FFAR4 (0.41) RXRBRXRARXRGFFAR4HTR1A
SCHEMBL3034674 0.70 MAPT (0.40) RXRBRXRA
SCHEMBL13959305 0.68 HTR1A (0.36) RXRBRXRAHTR1ADRD2DRD4
SCHEMBL4456613 0.66 GPR119 (0.48)

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 RXRB 139/4885RXRA 202/4885RXRG 176/4885

“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.