SCHEMBL4158018

SCHEMBL4158018

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCOc2ccc(CC(C)(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.76
CHRM3 P20309 4/20 0.76
ADRB1 P08588 10/20 0.55

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
SCHEMBL4149897 0.90 ADRB2 (0.92) ADRB2CHRM3ADRB1
SCHEMBL4144432 0.90 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL4146759 0.86 ADRB2 (1.00) ADRB2CHRM3ADRB1
SCHEMBL4162721 0.79 ADRB2 (0.80) ADRB2CHRM3ADRB1
SCHEMBL4339106 0.78 ADRB2 (0.49) ADRB2CHRM3ADRB1
SCHEMBL11725884 0.77 ADRB2 (0.81) ADRB2ADRB1
Hydrochloric Acid SCHEMBL11449053 0.76 ADRB2 (0.80) ADRB2ADRB1
SCHEMBL2795972 0.76 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL13170240 0.76 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL2795970 0.76 ADRB2 (0.61) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US claimed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US claimed
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-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-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 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
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 169/4885ADRB1 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.