SCHEMBL4555945

SCHEMBL4555945

Cc1cccc2c1OCC1[C@@H]2Nc2ccccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.36
BRD4 O60885 1/20 0.36
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PSMB5 P28074 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSMB8 P28062 1/20 0.31
HTR2C P28335 2/20 0.31
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HTR5A P47898 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
SCHEMBL4555685 1.00 CREBBP (0.36) CREBBPBRD4ADRA2AADRA2BADRA1A
SCHEMBL4555974 0.84 ALDH1A1 (0.38) CREBBPALDH1A1LMNAHTR2C
SCHEMBL4611705 0.84 ALDH1A1 (0.38) CREBBPALDH1A1LMNAHTR2C
SCHEMBL4555635 0.81 F10 (0.34) CREBBPBRD4PSMB5PSMB8HTR2C
SCHEMBL4762543 0.79 KIF11 (0.31)
SCHEMBL4599218 0.75 CREBBP (0.32) CREBBPLMNANPSR1HTR2CPBRM1
SCHEMBL4597407 0.75 CREBBP (0.32) CREBBPLMNANPSR1HTR2CPBRM1
SCHEMBL4864827 0.71 ALDH1A1 (0.36) CREBBPALDH1A1LMNAHTR2C
SCHEMBL4556317 0.71 TP53 (0.32)
SCHEMBL4609768 0.71 TP53 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US 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
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 CREBBP 247/4885BRD4 1532/4885ADRA2A 290/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CREBBP 247/4885BRD4 1532/4885ADRA2A 290/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CREBBP 247/4885BRD4 1532/4885ADRA2A 290/4885

“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.