SCHEMBL4864574

SCHEMBL4864574

CC1CN(CC(=O)NCC(C)(C)C)CCN1CC(O)COc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
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
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
LMNA P02545 2/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4865219 0.89 MEN1 (0.56) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4859676 0.89 KMT2A (0.55) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4861126 0.88 KMT2A (0.57) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4859600 0.87 MEN1 (0.56) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6771057 0.86 MEN1 (0.59) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4866039 0.86 MEN1 (0.53) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4865355 0.86 KMT2A (0.60) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6768874 0.86 KMT2A (0.56) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4866603 0.85 MEN1 (0.52) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4864114 0.85 MEN1 (0.52) MEN1KMT2ACYP2D6KCNH2ABCB1

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 4 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
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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 (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 3201/4885CYP3A4 655/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885CYP3A4 598/4885

“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.