SCHEMBL821245

SCHEMBL821245

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCO)ccc1O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.69
CHRM2 P08172 3/20 0.69
CHRM1 P11229 3/20 0.69
CHRM5 P08912 2/20 0.69
HRH1 P35367 2/20 0.69
LMNA P02545 1/20 0.69
ESR1 P03372 1/20 0.69
CHRM4 P08173 1/20 0.69
MAPT P10636 1/20 0.69
KCNE1 P15382 1/20 0.69
PTGS1 P23219 1/20 0.69
HRH2 P25021 1/20 0.69
HTR2A P28223 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRK1 P41145 1/20 0.69
KCNQ1 P51787 1/20 0.69
KCNH2 Q12809 1/20 0.69
CACNA1C Q13936 1/20 0.69
SCN5A Q14524 1/20 0.69

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
SCHEMBL814151 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL814105 0.99 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL5179365 0.99 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL5179266 0.99 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL5178570 0.93 CHRM3 (0.66) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL5179406 0.92 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL27743762 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL5179396 0.92 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM5HRH1
SCHEMBL27743761 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5HRH1
Hydrochloric Acid SCHEMBL6939095 0.91 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067594-B2 Process for the production of benzopyran-2-ol derivatives PFIZER INC. (US) 2011-11-29 US disclosed
US-8067594-B2 Process for the production of benzopyran-2-ol derivatives PFIZER INC. (US) 2011-11-29 US disclosed
EP-2029567-B1 PROCESS FOR THE PRODUCTION OF BENZOPYRAN-2-OL DERIVATIVES PFIZER LTD (GB) 2010-09-08 EP disclosed
US-20090306384-A1 Process for the Production of Benzopyran-2-ol Derivatives PFIZER INC 2009-12-10 US disclosed
US-20090306384-A1 Process for the Production of Benzopyran-2-ol Derivatives PFIZER INC 2009-12-10 US disclosed
US-20090306384-A1 Process for the Production of Benzopyran-2-ol Derivatives PFIZER INC 2009-12-10 US disclosed
WO-2007138440-A1 PROCESS FOR THE PRODUCTION OF BENZOPYRAN-2-OL DERIVATIVES PFIZER LIMITED (GB) 2007-12-06 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 (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-20090306384-A1 Process for the Production of Benzopyran-2-ol Derivatives ADRB2, TACR2, TACR1 CHRM3 56/4885CHRM2 32/4885CHRM1 168/4885

“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.