SCHEMBL4865310

SCHEMBL4865310

CC1CN(CC(O)COc2ccccc2F)CCN1CC(=O)NC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SCN5A Q14524 2/20 0.44
SCN1A P35498 1/20 0.44
SCN9A Q15858 1/20 0.44
OGA O60502 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL4857823 0.88 ALDH1A1 (0.55) MEN1KMT2AHPGDALDH1A1SCN5A
SCHEMBL4857993 0.87 ALDH1A1 (0.54) HPGDALDH1A1SCN5ASCN1ASCN9A
SCHEMBL6771057 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1SCN5ASCN1A
SCHEMBL4865219 0.79 MEN1 (0.56) MEN1KMT2AHPGDSCN5ALMNA
SCHEMBL6768874 0.79 KMT2A (0.56) MEN1KMT2AALDH1A1SCN5AOGA
SCHEMBL4864574 0.79 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1SCN5A
SCHEMBL4867409 0.78 SCN5A (0.66) MEN1KMT2AHPGDALDH1A1SCN5A
SCHEMBL5223439 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6765995 0.78 MEN1 (0.62) MEN1KMT2AALDH1A1SCN5ALMNA
SCHEMBL4859676 0.78 KMT2A (0.55) MEN1KMT2AALDH1A1SCN5ALMNA

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 6 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
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 3201/4885HPGD 219/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885HPGD 224/4885

“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.