SCHEMBL3779737

SCHEMBL3779737

CC(=O)OCc1ccc(OC(=O)C(C)(C)C)c(C(CC(N)(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB2 P07550 1/20 0.34
CA2 P00918 1/20 0.33

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
SCHEMBL6760711 0.93 CHRM2 (0.42) ELANECHRM2CHRM1ALDH1A1LMNA
SCHEMBL6757054 0.90 CHRM2 (0.52) ELANECHRM2CHRM1ALDH1A1CYP3A4
SCHEMBL6761854 0.84 CHRM2 (0.42) CHRM2CHRM1ALDH1A1CYP3A4LMNA
SCHEMBL3772904 0.82 ALOX15 (0.41) CHRM2CHRM1ALDH1A1LMNA
SCHEMBL2167092 0.81 CHRM2 (0.64) ELANECHRM2CHRM1ALDH1A1LMNA
SCHEMBL6539682 0.79 CHRM2 (0.39) ELANECHRM2CHRM1ALDH1A1CYP3A4
SCHEMBL6760480 0.77 CHRM2 (0.51) ELANECHRM2CHRM1CYP3A4
SCHEMBL2166559 0.76 CHRM2 (0.66) ELANECHRM2CHRM1LMNAADRB2
SCHEMBL5269800 0.75 CHRM2 (0.37) ELANECHRM2CHRM1ALDH1A1LMNA
SCHEMBL8096707 0.74 LMNA (0.37) CHRM2CHRM1CYP3A4LMNAADRB2

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-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 ELANE 4204/4885CHRM2 140/4885CHRM1 263/4885

“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.