SCHEMBL4861049

SCHEMBL4861049

CC1CN(CC(=O)Nc2ccc3c(c2)CCC3)CCN1CC(O)COc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL6771455 1.00 LMNA (0.53) LMNAHTTMAPTKMT2AMEN1
SCHEMBL6768874 0.89 KMT2A (0.56) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6768950 0.88 KMT2A (0.52) LMNAHTTMAPTKMT2AMEN1
SCHEMBL6769824 0.88 MEN1 (0.58) LMNAKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4863995 0.88 LMNA (0.63) LMNAHTTMAPTKMT2ASMN1; SMN2
SCHEMBL6771057 0.88 MEN1 (0.59) LMNAKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL6768765 0.87 ALDH1A1 (0.57) LMNAHTTMAPTKMT2AMEN1
SCHEMBL6768966 0.87 KMT2A (0.51) LMNAHTTMAPTKMT2AMEN1
SCHEMBL6769335 0.86 MEN1 (0.54) LMNAHTTMAPTKMT2AMEN1
SCHEMBL6770885 0.86 KMT2A (0.54) LMNAHTTMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2835/4885HTT 2557/4885MAPT 4833/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2300/4885HTT 2259/4885MAPT 4829/4885

“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.