SCHEMBL4390573

SCHEMBL4390573

Cc1ccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.45
▸ ADRB1 P08588 5/20 0.44
▸ CHRM3 P20309 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.37
▸ ESRRG P62508 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL4390578 1.00 ADRB2 (0.45) ADRB2ADRB1CHRM3SLC7A5ESRRG
SCHEMBL4391599 0.93 ADRB2 (0.46) ADRB2ADRB1CHRM3SLC7A5ESRRG
SCHEMBL4391605 0.93 ADRB2 (0.46) ADRB2ADRB1CHRM3SLC7A5ESRRG
SCHEMBL4387414 0.91 ADRB2 (0.46) ADRB2ADRB1CHRM3CYP2D6
SCHEMBL4389683 0.91 ADRB2 (0.44) ADRB2ADRB1CHRM3SLC7A5PARP1
SCHEMBL4389689 0.91 ADRB2 (0.44) ADRB2ADRB1CHRM3SLC7A5PARP1
SCHEMBL4387411 0.91 ADRB2 (0.46) ADRB2ADRB1CHRM3CYP2D6
SCHEMBL4385662 0.91 ADRB2 (0.45) ADRB2ADRB1CHRM3NPC1RAB9A
SCHEMBL4387615 0.91 ADRB2 (0.47) ADRB2ADRB1CHRM3SLC7A5ESRRG
SCHEMBL4387621 0.91 ADRB2 (0.47) ADRB2ADRB1CHRM3SLC7A5ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 — — US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 — — US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 — — EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 — — US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 — — WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 — — EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885ADRB1 711/4885CHRM3 692/4885

“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.

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