SCHEMBL6784774

SCHEMBL6784774

CCCCCN1CCC(c2cc(N)ccc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
HTR4 Q13639 9/20 0.52
ACHE P22303 2/20 0.52
HTR1A P08908 4/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR1D P28221 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
ABCB1 P08183 1/20 0.43
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD5 P21918 3/20 0.43
DRD3 P35462 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8304633 0.85 DRD2 (0.44) DRD2HTR4ACHECHRM4CHRM5
SCHEMBL7029357 0.81 QDPR (0.52) DRD2HTR1DMEN1KMT2A
SCHEMBL7938441 0.78 KDM4E (0.46)
SCHEMBL6716473 0.77 DRD2 (0.42) DRD2HTR1DMEN1KMT2A
SCHEMBL8304631 0.76 HTR4 (0.36) DRD2HTR4ACHEHTR1AMEN1
SCHEMBL6924205 0.76 ABCB1 (0.43) DRD2CHRM4CHRM5HTR1DADRA1B
SCHEMBL7880812 0.76 HTR2A (0.47) HTR1AHTR1DHTR2BHTR3ADRD1
SCHEMBL6646479 0.75 DRD2 (0.52) DRD2HTR1AADRA1BMEN1KMT2A
SCHEMBL6717514 0.75 EHMT2 (0.42) DRD2HTR1DMEN1KMT2A
SCHEMBL328237 0.74 HTR1D (0.49) DRD2CHRM4CHRM5HTR1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 DRD2 645/4885HTR4 616/4885ACHE 3257/4885

“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.