SCHEMBL6713239

SCHEMBL6713239

COc1ccc(OC)c(CCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 2/20 0.50
AOC3 Q16853 1/20 0.49
DHFR P00374 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL4337045 0.84 KDM4E (0.43) HSD17B10
SCHEMBL20604617 0.84 HTR1A (0.38) ADRA1ATAAR1IDO1HTR2A
SCHEMBL6712170 0.84 IDO1 (0.36) ADRA1ATAAR1IDO1HSD17B10MTNR1A
SCHEMBL17410218 0.82 HTR2A (0.36) ADRA1ATAAR1IDO1HTR2A
SCHEMBL29991088 0.82 HTR2A (0.36) ADRA1ATAAR1IDO1HTR2A
SCHEMBL4328070 0.81 FDPS (0.48)
SCHEMBL1247733 0.80 TAAR1 (0.50) TAAR1IDO1AOC3DHFRMTNR1A
SCHEMBL3465581 0.80 APLNR (0.45) ADRA1ATAAR1IDO1HTR2A
SCHEMBL1146357 0.77 HTR2A (0.54) TAAR1HTR2A
SCHEMBL12888550 0.76 KMT2A (0.44) ADRA1ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 ADRA1A 352/4885TAAR1 572/4885IDO1 221/4885

“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.