SCHEMBL4559915

SCHEMBL4559915

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCCCCC(N(OC(=O)O)OC(=O)O)(C(C)(C)C)C(C)(C)C)ccc1O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.49
ADRB2 P07550 11/20 0.49
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM5 P08912 2/20 0.49
HRH1 P35367 2/20 0.49
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM4 P08173 1/20 0.49
MAPT P10636 1/20 0.49
KCNE1 P15382 1/20 0.49
PTGS1 P23219 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNQ1 P51787 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL4306333 0.85 CHRM3 (0.55) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL4344039 0.80 CHRM3 (0.52) CHRM3ADRB2CHRM2CHRM1CHRM5
Bicarbonate SCHEMBL4306338 0.80 CHRM3 (0.58) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL4154195 0.80 CHRM3 (0.58) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL6938003 0.79 CHRM3 (0.63) CHRM3ADRB2CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL27510671 0.79 CHRM3 (0.66) CHRM3ADRB2CHRM2CHRM1CHRM5
Isobutane SCHEMBL4559917 0.79 CHRM3 (0.57) CHRM3ADRB2CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL5179503 0.78 CHRM3 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL27530654 0.78 CHRM3 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL4150848 0.78 CHRM3 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5

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 2 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-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 (1 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 CHRM3 169/4885ADRB2 93/4885CHRM2 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.