SCHEMBL4339106

SCHEMBL4339106

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCOc2ccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(OCc4ccccc4)c4[nH]c(=O)ccc34)cc2)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.49
CHRM3 P20309 6/20 0.49
ADRB1 P08588 5/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL4153782 0.92 ADRB2 (0.57) ADRB2CHRM3ADRB1CHRM2CHRM1
SCHEMBL4144432 0.89 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL4145014 0.85 ADRB2 (0.70) ADRB2CHRM3ADRB1CHRM2DRD2
SCHEMBL4150802 0.79 ADRB2 (0.49) ADRB2CHRM3CHRM2CHRM1
SCHEMBL4150798 0.79 ADRB2 (0.49) ADRB2CHRM3CHRM2CHRM1
SCHEMBL4158018 0.78 ADRB2 (0.76) ADRB2CHRM3ADRB1
SCHEMBL4162721 0.77 ADRB2 (0.80) ADRB2CHRM3ADRB1CHRM2DRD2
SCHEMBL2142402 0.77 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2142394 0.77 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4149614 0.77 CHRM2 (0.47) ADRB2CHRM3CHRM2CHRM1

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 5 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
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 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 (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 169/4885ADRB1 71/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885ADRB1 71/4885

“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.