SCHEMBL4144496

SCHEMBL4144496

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCOc2ccc(CCNC[C@H](O)c3cc(O)cc(O)c3)cc2)ccc1O)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.78
CHRM3 P20309 11/20 0.78
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
HRH1 P35367 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 1/20 0.46
KCNE1 P15382 1/20 0.46
PTGS1 P23219 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL13613062 0.95 ADRB2 (0.85) ADRB2CHRM3
SCHEMBL3651814 0.89 CHRM3 (0.66) ADRB2CHRM3CHRM2CHRM5CHRM1
SCHEMBL4149718 0.89 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL4149727 0.89 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL524043 0.87 ADRB2 (0.92) ADRB2CHRM3
SCHEMBL4146912 0.87 ADRB2 (0.77) ADRB2CHRM3
SCHEMBL3655525 0.87 CHRM3 (0.69) ADRB2CHRM3CHRM2CHRM5CHRM1
SCHEMBL4154452 0.86 CHRM3 (0.61) ADRB2CHRM3CHRM2CHRM5CHRM1
SCHEMBL13626967 0.86 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL4151186 0.85 ADRB2 (1.00) ADRB2CHRM3CHRM5HTR2ASLC6A4

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 169/4885CHRM2 142/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885CHRM2 142/4885

“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.