SCHEMBL4146759

SCHEMBL4146759

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
CHRM3 P20309 6/20 1.00
DRD2 P14416 2/20 0.60
DRD1 P21728 2/20 0.60
DRD4 P21917 2/20 0.60
DRD3 P35462 2/20 0.60
ADRB1 P08588 10/20 0.59
ADRB3 P13945 4/20 0.59

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 0.96 ADRB2 (0.92) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL4162721 0.89 ADRB2 (0.80) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL4158018 0.86 ADRB2 (0.76) ADRB2CHRM3ADRB1
SCHEMBL13613062 0.84 ADRB2 (0.85) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL4145014 0.83 ADRB2 (0.70) ADRB2CHRM3DRD2DRD1DRD4
SCHEMBL4151177 0.81 ADRB2 (1.00) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL4151186 0.81 ADRB2 (1.00) ADRB2CHRM3DRD2DRD4DRD3
SCHEMBL4160120 0.81 ADRB2 (1.00) ADRB2CHRM3ADRB1ADRB3
SCHEMBL4153721 0.81 ADRB2 (0.84) ADRB2CHRM3ADRB1ADRB3
SCHEMBL4153768 0.80 ADRB2 (0.99) 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 14 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 claimed
EP-1999107-A2 AMINE DERIVATIVES Pfizer Limited (GB) 2008-12-10 EP claimed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US claimed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 WO 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 169/4885DRD2 585/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885DRD2 585/4885

“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.