SCHEMBL4151177

SCHEMBL4151177

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
CHRM3 P20309 8/20 1.00
ADRB1 P08588 6/20 0.55
ADRA1D P25100 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTR1A P08908 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRB3 P13945 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
DRD4 P21917 1/20 0.55
SLC6A2 P23975 1/20 0.55
FPR3 P25089 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
GPR183 P32249 1/20 0.55
HTR7 P34969 1/20 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
SCHEMBL4151186 1.00 ADRB2 (1.00) ADRB2CHRM3ADRB1ADRA1DKDM4E
SCHEMBL4149718 0.95 ADRB2 (0.91) ADRB2CHRM3ADRB1ADRA1D
SCHEMBL4149727 0.95 ADRB2 (0.91) ADRB2CHRM3ADRB1ADRA1D
SCHEMBL4149822 0.90 ADRB2 (0.81) ADRB2CHRM3ADRB1ADRA1D
SCHEMBL4149826 0.90 ADRB2 (0.81) ADRB2CHRM3ADRB1ADRA1D
SCHEMBL13613062 0.89 ADRB2 (0.85) ADRB2CHRM3ADRB1DRD2DRD4
SCHEMBL13626967 0.88 ADRB2 (0.83) ADRB2CHRM3ADRB1ADRB3DRD2
SCHEMBL4160120 0.88 ADRB2 (1.00) ADRB2CHRM3ADRB1ADRB3
SCHEMBL4153721 0.88 ADRB2 (0.84) ADRB2CHRM3ADRB1ADRB3
SCHEMBL4153768 0.87 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 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
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
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
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.