SCHEMBL4345217

SCHEMBL4345217

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCOc2ccc(CCNC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.65
CHRM3 P20309 10/20 0.65
ADRB3 P13945 5/20 0.39
ADRB1 P08588 1/20 0.37

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
SCHEMBL4142367 0.98 ADRB2 (0.68) ADRB2CHRM3ADRB3
SCHEMBL4164154 0.98 ADRB2 (0.67) ADRB2CHRM3ADRB3
SCHEMBL4150206 0.93 ADRB2 (0.74) ADRB2CHRM3ADRB3
SCHEMBL4151178 0.93 ADRB2 (0.56) ADRB2CHRM3ADRB3
SCHEMBL4150239 0.93 ADRB2 (0.60) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4156614 0.92 CHRM3 (0.61) ADRB2CHRM3ADRB3
SCHEMBL4144459 0.92 ADRB2 (0.78) ADRB2CHRM3ADRB3
SCHEMBL4162693 0.91 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL4336215 0.91 ADRB2 (0.67) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4166395 0.89 ADRB2 (0.51) ADRB2CHRM3ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
EP-1999107-A2 AMINE DERIVATIVES Pfizer Limited (GB) 2008-12-10 EP disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 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 (2 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-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885ADRB3 108/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885ADRB3 108/4885

“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.