SCHEMBL4564230

SCHEMBL4564230

COc1cccc2c1[C@H]1Nc3ccc(-n4ncc(C(=O)O)c4C)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
GUCY1A1 Q02108 4/20 0.34
GUCY1B1 Q02153 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4611655 0.91 GUCY1A1 (0.37) MAPTALDH1A1NPSR1RAB9AGUCY1A1
SCHEMBL4555203 0.84 EGLN1 (0.38)
SCHEMBL4815862 0.82 MAPT (0.34) MAPTALDH1A1NPSR1RAB9ANPC1
SCHEMBL4816654 0.82 MAPT (0.34) MAPTALDH1A1NPSR1RAB9ANPC1
SCHEMBL4863672 0.81 MAPT (0.36) MAPT
SCHEMBL4555973 0.81 MAPT (0.36) MAPT
SCHEMBL4628879 0.79 MAPT (0.36) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4566182 0.79 HCRTR1 (0.39) SMN1; SMN2
SCHEMBL4810475 0.79 TTK (0.31)
SCHEMBL4566100 0.78 KMT2A (0.36) MAPTALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 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 MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885

“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.