SCHEMBL7316939

SCHEMBL7316939

CC(=O)N(Cc1cccs1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
HTR6 P50406 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 2/20 0.32
BAD Q92934 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CNR1 P21554 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
SCHEMBL7318525 0.87 NTSR1 (0.38) HTR6NTSR1MCL1BADACMSD
SCHEMBL7315194 0.85 HTR6 (0.36) HTR6ALDH1A1HPGDSMN1; SMN2NTSR1
SCHEMBL7312233 0.84 HTR6 (0.36) HTR6NTSR1MCL1GSK3AGSK3B
SCHEMBL7314992 0.83 TSPO (0.46) HTR6POLBKMT2AALDH1A1HPGD
SCHEMBL7320265 0.83 ICMT (0.45) HTR6MCL1BADTAAR1ICMT
SCHEMBL7305101 0.82 CYP19A1 (0.35) HTR6NTSR1MCL1BADGSK3A
SCHEMBL7306862 0.79 HTR6 (0.35) HTR6NTSR1MCL1BADGSK3A
SCHEMBL7314014 0.75 HTR6 (0.35) HTR6ALDH1A1NTSR1MCL1GSK3A
SCHEMBL7307180 0.74 HTR6 (0.35) HTR6NTSR1MCL1ACMSDICMT
Trifluoroacetic Acid SCHEMBL7318294 0.67 NTSR1 (0.45) HTR6NTSR1MCL1ICMT

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 5 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
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO 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
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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 (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 OPRM1 4086/4885HTR6 4503/4885MEN1 4382/4885

“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.