SCHEMBL6539682

SCHEMBL6539682

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ELANE P08246 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.32
FAAH O00519 2/20 0.31
MGLL Q99685 1/20 0.31
AKR1C3 P42330 4/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL3772904 0.89 ALOX15 (0.41) CHRM2CHRM1KMT2AMEN1FAAH
SCHEMBL2166654 0.81 CHRM2 (0.61) CHRM2CHRM1PTGS1FAAHMGLL
SCHEMBL6761854 0.81 CHRM2 (0.42) CHRM2CHRM1KMT2AMEN1CYP3A4
SCHEMBL6757054 0.81 CHRM2 (0.52) CHRM2CHRM1KMT2AMEN1ELANE
SCHEMBL6760711 0.80 CHRM2 (0.42) CHRM2CHRM1KMT2AELANEALDH1A1
SCHEMBL3779737 0.79 ELANE (0.44) CHRM2CHRM1ELANECYP3A4ALDH1A1
SCHEMBL7755039 0.76 CHRM2 (0.38) CHRM2CHRM1KMT2AMEN1PTGS1
SCHEMBL6760480 0.74 CHRM2 (0.51) CHRM2CHRM1KMT2AMEN1ELANE
SCHEMBL6539686 0.72 HPGD (0.31) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL8096707 0.71 LMNA (0.37) CHRM2CHRM1KMT2ACYP3A4TDP1

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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 CHRM2 136/4885CHRM1 227/4885KMT2A 3711/4885

“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.