SCHEMBL6785477

SCHEMBL6785477

CC1(C)OB(c2ccc3c(c2)CC[C@@H](CN(CC(COc2ccccc2)O[Si](C)(C)C(C)(C)C)C(=O)O)O3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 7/20 0.32
HIF1A Q16665 2/20 0.31
FFAR4 Q5NUL3 3/20 0.31
FFAR1 O14842 2/20 0.31
DGAT1 O75907 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL6794039 1.00 SLC8A1 (0.32) SLC8A1HIF1AFFAR4FFAR1DGAT1
SCHEMBL6031402 1.00 SLC8A1 (0.32) SLC8A1HIF1AFFAR4FFAR1DGAT1
SCHEMBL6785471 1.00 SLC8A1 (0.32) SLC8A1HIF1AFFAR4FFAR1DGAT1
SCHEMBL6481175 0.93 BACE1 (0.36) SLC8A1BACE1BACE2
SCHEMBL6494200 0.89 DGAT1 (0.33) DGAT1
SCHEMBL6032368 0.86 DRD2 (0.35) FFAR4FFAR1
SCHEMBL6481179 0.86 AAK1 (0.32) SLC8A1HIF1A
SCHEMBL6027687 0.86 FFAR4 (0.33) SLC8A1FFAR4FFAR1
SCHEMBL6027685 0.86 FFAR4 (0.33) SLC8A1FFAR4FFAR1
SCHEMBL6790914 0.82 FFAR4 (0.35) SLC8A1FFAR4FFAR1

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-6699860-B2 ADRENERGIC BLOCKING AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-03-02 US disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 EP disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 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 (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-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 SLC8A1 2595/4885HIF1A 3090/4885FFAR4 166/4885

“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.