SCHEMBL4391605

SCHEMBL4391605

Cc1ccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.46
▸ ADRB1 P08588 3/20 0.46
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ CHRM3 P20309 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ ADRA1D P25100 1/20 0.36

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
SCHEMBL4391599 1.00 ADRB2 (0.46) ADRB2ADRB1NPC1RAB9APARP1
SCHEMBL4385662 0.93 ADRB2 (0.45) ADRB2ADRB1NPC1RAB9APARP1
SCHEMBL4385667 0.93 ADRB2 (0.45) ADRB2ADRB1NPC1RAB9APARP1
SCHEMBL4394564 0.93 ADRB2 (0.52) ADRB2ADRB1PARP1CHRM3ESRRG
SCHEMBL4394561 0.93 ADRB2 (0.52) ADRB2ADRB1PARP1CHRM3ESRRG
SCHEMBL4390573 0.93 ADRB2 (0.45) ADRB2ADRB1NPC1RAB9APARP1
SCHEMBL4390578 0.93 ADRB2 (0.45) ADRB2ADRB1NPC1RAB9APARP1
SCHEMBL4389689 0.91 ADRB2 (0.44) ADRB2ADRB1PARP1CHRM3TRPV1
SCHEMBL4389683 0.91 ADRB2 (0.44) ADRB2ADRB1PARP1CHRM3TRPV1
SCHEMBL4387414 0.91 ADRB2 (0.46) ADRB2ADRB1CHRM3

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 3 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-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 — — US 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 711/4885NPC1 234/4885

“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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