SCHEMBL4859538

SCHEMBL4859538

Cc1ccc(OC(=O)C(O)C(O)C(=O)Oc2ccc(C)cc2[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.66
CHRM1 P11229 4/20 0.66
CHRM3 P20309 4/20 0.66
CHRM5 P08912 2/20 0.66
HRH1 P35367 2/20 0.66
ADRB2 P07550 2/20 0.66
CX3CR1 P49238 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
FFAR4 Q5NUL3 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
LMNA P02545 1/20 0.62
ESR1 P03372 1/20 0.62
CHRM4 P08173 1/20 0.62
MAPT P10636 1/20 0.62
KCNE1 P15382 1/20 0.62
PTGS1 P23219 1/20 0.62
HRH2 P25021 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62

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
SCHEMBL2448532 0.97 CHRM2 (0.72) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL13175653 0.92 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL725535 0.92 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL14709412 0.92 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL574530 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4879639 0.91 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
Hydrochloric Acid SCHEMBL4771342 0.90 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL9107429 0.88 CHRM2 (0.64) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL9111155 0.88 CHRM2 (0.64) CHRM2CHRM1CHRM3CHRM5HRH1
Fumaric Acid SCHEMBL14696873 0.87 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358399-B2 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine CHEMI SPA (IT) 2008-04-15 US disclosed
US-20060079716-A1 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine CHEMI SPA (IT) 2006-04-13 US disclosed
US-20030144352-A1 Antimuscarinic aerosol PHARMACIA & UPJOHN COMPANY 2003-07-31 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 (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-20030144352-A1 Antimuscarinic aerosol CHRM3, CHRM1, CHRM5 CHRM2 4/4885CHRM1 2/4885CHRM3 1/4885
US-20060079716-A1 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine PNMT, INMT, DRD4 CHRM2 169/4885CHRM1 182/4885CHRM3 212/4885

“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.