SCHEMBL4865726

SCHEMBL4865726

Cc1cc(NC(=O)CN2CCN(CC(O)COc3ccccc3F)C(C)C2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.51
EGFR P00533 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6769824 0.85 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL6765995 0.85 MEN1 (0.62) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6771057 0.85 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL6769061 0.84 CYP3A4 (0.62) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL6768874 0.84 KMT2A (0.56) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6769335 0.84 MEN1 (0.54) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6768724 0.83 ALDH1A1 (0.54) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL6765474 0.83 KMT2A (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6765928 0.83 KMT2A (0.55) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL6768950 0.82 KMT2A (0.52) MEN1KMT2ALMNAL3MBTL1KDM4E

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 MEN1 3200/4885KMT2A 3201/4885LMNA 2835/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885LMNA 2300/4885

“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.