SCHEMBL4445356

SCHEMBL4445356

c1ccc2c(c1)CC1COc3ccccc3C1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
DRD2 P14416 4/20 0.37
DRD3 P35462 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
HTR5A P47898 1/20 0.34
TSHR P16473 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CREBBP Q92793 1/20 0.33
DRD1 P21728 5/20 0.33
DRD4 P21917 3/20 0.33
HTR2B P41595 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL4866626 0.82 DRD2 (0.42) DRD2DRD3
SCHEMBL4860322 0.81 GAA (0.42) MAPTGAALTB4RLTB4R2
SCHEMBL4814065 0.80 LTB4R (0.46) MAPTGAALTB4RLTB4R2
SCHEMBL4858830 0.79 HTR1D (0.41) MAPTMEN1KMT2ATSHRDRD1
SCHEMBL4863367 0.75 GAA (0.36) MAPTGAA
SCHEMBL4657760 0.74 CHRM2 (0.33) DRD2DRD3NISCH
SCHEMBL14007698 0.73 PRCP (0.44) MAPTGAAAR
SCHEMBL22560811 0.72 DRD2 (0.41) DRD2DRD3NISCHLTB4RLTB4R2
SCHEMBL14059506 0.69 GAA (0.56) GAADRD2DRD3NISCHLTB4R
SCHEMBL24727491 0.64 CHRM2 (0.33) MAPTGAAMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP claimed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
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
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO 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 MAPT 4361/4885GAA 441/4885DRD2 4395/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885GAA 441/4885DRD2 4395/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885GAA 441/4885DRD2 4395/4885

“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.