SCHEMBL4565791

SCHEMBL4565791

CCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)[C@H]2COc4cccc(OC)c4[C@H]2N3)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
ACACB O00763 2/20 0.36
PARP1 P09874 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4597471 0.88 ACACB (0.39) TSHRMAPTPKMMEN1KMT2A
SCHEMBL4556184 0.88 ALDH1A1 (0.41) ALDH1A1TSHRTP53MAPTPKM
SCHEMBL4437480 0.88 ALDH1A1 (0.41) ALDH1A1TSHRTP53MAPTPKM
SCHEMBL4556010 0.85 TLR9 (0.34) ALDH1A1TSHRLMNAHIF1APOLB
SCHEMBL4566100 0.83 KMT2A (0.36) ALDH1A1TSHRTP53MAPTPKM
SCHEMBL4863672 0.83 MAPT (0.36) TSHRMAPTKDM4E
SCHEMBL4555973 0.83 MAPT (0.36) TSHRMAPTKDM4E
SCHEMBL4611328 0.82 F10 (0.36) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL4439335 0.80 LMNA (0.34) LMNAPOLB
SCHEMBL4814831 0.80 LMNA (0.34) LMNAPOLB

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
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
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 ALDH1A1 1804/4885TSHR 3101/4885TP53 4391/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885TSHR 3101/4885TP53 4391/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885TSHR 3101/4885TP53 4391/4885

“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.