SCHEMBL4398908

SCHEMBL4398908

CCNC(=O)Oc1ccc(CO)cc1C(CC)c1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CES2 O00748 1/20 0.36
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PDE4A P27815 1/20 0.33
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
CTSA P10619 2/20 0.32

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
SCHEMBL7756404 0.89 CHRM2 (0.48) CHRM2CHRM1KMT2AMAPTBCHE
SCHEMBL4659057 0.88 CHRM2 (0.62) CHRM2CHRM1KMT2APOLBMAPT
SCHEMBL1158251 0.88 CHRM2 (0.62) CHRM2CHRM1KMT2APOLBMAPT
SCHEMBL4660254 0.87 CHRM2 (0.46) CHRM2CHRM1KMT2AMEN1CYP4F2
SCHEMBL4659036 0.87 CHRM2 (0.51) CHRM2CHRM1KMT2AL3MBTL1MEN1
SCHEMBL4660409 0.87 CHRM2 (0.51) CHRM2CHRM1KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL16166361 0.87 CHRM2 (0.61) CHRM2CHRM1KMT2APOLBCYP4F2
SCHEMBL4661558 0.87 CHRM2 (0.48) CHRM2CHRM1KDM4EKMT2AMEN1
SCHEMBL11297464 0.86 CHRM2 (0.48) CHRM2CHRM1CYP4F2CYP4A11CTSA
SCHEMBL7755589 0.85 CHRM2 (0.60) CHRM2CHRM1CES2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US disclosed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 EP disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 CHRM2 140/4885CHRM1 263/4885CES2 2219/4885

“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.