SCHEMBL7314014

SCHEMBL7314014

CC(=O)N(c1cccnc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NTSR1 P30989 4/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HTR2C P28335 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
CNR2 P34972 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCL1 Q07820 2/20 0.32
ACMSD Q8TDX5 1/20 0.32
CHEK1 O14757 1/20 0.32
ICMT O60725 1/20 0.32

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
SCHEMBL7306862 0.82 HTR6 (0.35) HTR6CYP11B1CYP11B2NTSR1GSK3A
SCHEMBL7315194 0.80 HTR6 (0.36) HTR6CYP11B1CYP11B2NTSR1GSK3A
SCHEMBL7307180 0.79 HTR6 (0.35) HTR6NTSR1HTR2CMCL1ACMSD
SCHEMBL7318525 0.78 NTSR1 (0.38) HTR6NTSR1MCL1ACMSDICMT
SCHEMBL7312233 0.75 HTR6 (0.36) HTR6NTSR1GSK3AGSK3BCNR2
SCHEMBL7316939 0.75 OPRM1 (0.36) HTR6NTSR1GSK3AGSK3BALDH1A1
SCHEMBL7305101 0.74 CYP19A1 (0.35) HTR6NTSR1GSK3AGSK3BMCL1
SCHEMBL7314992 0.73 TSPO (0.46) HTR6ALDH1A1NPSR1MCL1ICMT
SCHEMBL7399608 0.73 MTNR1A (0.37) HTR6GSK3AGSK3BHTR2CCHEK1
SCHEMBL7320265 0.73 ICMT (0.45) HTR6MCL1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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 (1 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 HTR6 4503/4885CYP11B1 4565/4885CYP11B2 4437/4885

“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.