SCHEMBL4584814

SCHEMBL4584814

CC(=O)Nc1ccc([C@H](CNCCc2ccc(Br)cc2)O[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.40
TSHR P16473 1/20 0.38
ADRB1 P08588 6/20 0.36
ADRB2 P07550 5/20 0.36
LTC4S Q16873 1/20 0.35
PDE4A P27815 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTK2 Q05397 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4584508 0.82 TSHR (0.36) ADRB3TSHRPDE4AALDH1A1PTK2
SCHEMBL4584511 0.82 TSHR (0.36) ADRB3TSHRPDE4AALDH1A1PTK2
SCHEMBL6136677 0.79 ALOX15 (0.37) ADRB3ADRB1ADRB2PDE4AALDH1A1
SCHEMBL6136680 0.79 ALOX15 (0.37) ADRB3ADRB1ADRB2PDE4AALDH1A1
SCHEMBL6136674 0.79 ALOX15 (0.37) ADRB3ADRB1ADRB2PDE4AALDH1A1
SCHEMBL6328475 0.73 ADRB3 (0.50) ADRB3ADRB1ADRB2ALDH1A1MEN1
SCHEMBL6328477 0.73 ADRB3 (0.50) ADRB3ADRB1ADRB2ALDH1A1MEN1
SCHEMBL4585225 0.69 SMN1; SMN2 (0.39) PDE4AALDH1A1PTK2MEN1KMT2A
SCHEMBL4585228 0.69 SMN1; SMN2 (0.39) PDE4AALDH1A1PTK2MEN1KMT2A
SCHEMBL6342245 0.67 CYP3A4 (0.34)

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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 ADRB3 86/4885TSHR 2617/4885ADRB1 70/4885

“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.