SCHEMBL4866626

SCHEMBL4866626

N#Cc1ccc2c(c1)NC1c3ccccc3OCC1C2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.42
DRD3 P35462 15/20 0.42
PNMT P11086 1/20 0.34
DAO P14920 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
SCHEMBL4445356 0.82 MAPT (0.37) DRD2DRD3
SCHEMBL4858830 0.71 HTR1D (0.41)
SCHEMBL4860322 0.68 GAA (0.42)
SCHEMBL4657760 0.67 CHRM2 (0.33) DRD2DRD3
SCHEMBL4814065 0.67 LTB4R (0.46)
SCHEMBL912111 0.63 DRD2 (0.55) DRD2DRD3
SCHEMBL990779 0.63 DRD2 (0.55) DRD2DRD3
SCHEMBL7399742 0.63 DRD2 (0.55) DRD2DRD3
SCHEMBL9879349 0.63 DRD2 (0.41) DRD2DRD3
SCHEMBL17048406 0.62 DRD2 (0.37) DRD2DRD3PNMT

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP DRD2 4395/4885DRD3 3871/4885PNMT 4080/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP DRD2 4395/4885DRD3 3871/4885PNMT 4080/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP DRD2 4395/4885DRD3 3871/4885PNMT 4080/4885

“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.