SCHEMBL4863299

SCHEMBL4863299

CC1CN(CC(O)COc2ccccc2F)CCN1CC(=O)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
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
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4867160 0.84 SLC27A1 (0.51) MEN1KMT2ADRD3SLC27A1
SCHEMBL5222655 0.82 MEN1 (0.46) MEN1KMT2AKCNH2USP2HTT
SCHEMBL6768594 0.80 MEN1 (0.54) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4863902 0.80 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6770955 0.78 MEN1 (0.54) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL4859635 0.77 SLC27A1 (0.61) CYP3A4CYP2D6TSHRNFKB1ADRB2
SCHEMBL4865310 0.77 MEN1 (0.56) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6770885 0.75 KMT2A (0.54) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6769160 0.75 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6768966 0.75 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2D6TSHR

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 3201/4885BCHE 2081/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885BCHE 2145/4885

“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.