SCHEMBL4565585

SCHEMBL4565585

C#Cc1ccc2c(c1)C(C)(C)[C@H]1COc3cccc(OC)c3[C@H]1N2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL4855306 0.86 NR3C1 (0.35) NR3C1PGRHTR1AHTR2AHTR2C
SCHEMBL4609216 0.85 CACNA1B (0.35) PGR
SCHEMBL4564249 0.85 NR3C1 (0.31) NR3C1PGR
SCHEMBL4866562 0.85 HSP90AA1 (0.34) NR3C1PGR
SCHEMBL4556232 0.83 CYP19A1 (0.34) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL4865539 0.83 CYP19A1 (0.34) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL4858243 0.83 HDAC4 (0.33) NR3C1
SCHEMBL4564288 0.83 HDAC4 (0.33) NR3C1
SCHEMBL4864334 0.83 ADRA1D (0.35) NR3C1PGR
SCHEMBL4608633 0.83 HSD11B1 (0.33) NR3C1

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 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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP 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
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (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 NR3C1 1692/4885PGR 3836/4885HTR1A 2598/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP NR3C1 1692/4885PGR 3836/4885HTR1A 2598/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR3C1 1692/4885PGR 3836/4885HTR1A 2598/4885

“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.