SCHEMBL4584508

SCHEMBL4584508

CC(=O)Nc1ccc([C@H](CN(CCc2ccc(Br)cc2)C(=O)O)O[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GRIN2B Q13224 1/20 0.34
PDE4A P27815 1/20 0.33
ADRB3 P13945 2/20 0.33
KDM4E B2RXH2 2/20 0.32
PTK2 Q05397 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.30
RAB9A P51151 3/20 0.30
NPC1 O15118 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 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
SCHEMBL4584511 1.00 TSHR (0.36) TSHRGRIN2BPDE4AADRB3KDM4E
SCHEMBL4584814 0.82 ADRB3 (0.40) TSHRPDE4AADRB3KDM4EPTK2
SCHEMBL4584424 0.79 ADRB3 (0.54) ADRB3
SCHEMBL4584412 0.79 ADRB3 (0.54) ADRB3
SCHEMBL4584326 0.77 ADRB3 (0.66) ADRB3
SCHEMBL4584320 0.77 ADRB3 (0.66) ADRB3
SCHEMBL6244465 0.77 LPAR1 (0.36) ADRB3MEN1KMT2AMAPT
SCHEMBL4582988 0.75 ADRB3 (0.39) ADRB3
SCHEMBL4582994 0.75 ADRB3 (0.39) ADRB3
SCHEMBL4586033 0.74 ADRB3 (0.51) ADRB3

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 TSHR 2617/4885GRIN2B 2930/4885PDE4A 2790/4885

“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.