SCHEMBL7318525

SCHEMBL7318525

CC(=O)N(Cc1ccccc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.38
HTR6 P50406 1/20 0.38
ICMT O60725 5/20 0.37
MCL1 Q07820 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
HASPIN Q8TF76 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
HRH1 P35367 1/20 0.34
BAD Q92934 1/20 0.34
TSPO P30536 1/20 0.34

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
SCHEMBL7315194 0.93 HTR6 (0.36) NTSR1HTR6ICMTMCL1ACMSD
SCHEMBL7314992 0.91 TSPO (0.46) HTR6ICMTMCL1BADTSPO
SCHEMBL7320265 0.90 ICMT (0.45) HTR6ICMTMCL1PPARGBAD
SCHEMBL7312233 0.88 HTR6 (0.36) NTSR1HTR6ICMTMCL1ACMSD
SCHEMBL7316939 0.87 OPRM1 (0.36) NTSR1HTR6ICMTMCL1ACMSD
SCHEMBL7305101 0.86 CYP19A1 (0.35) NTSR1HTR6ICMTMCL1BAD
SCHEMBL7314014 0.78 HTR6 (0.35) NTSR1HTR6ICMTMCL1ACMSD
SCHEMBL7306862 0.77 HTR6 (0.35) NTSR1HTR6ICMTMCL1ACMSD
SCHEMBL7307180 0.77 HTR6 (0.35) NTSR1HTR6ICMTMCL1ACMSD
Hydrochloric Acid SCHEMBL7307947 0.74 F10 (0.48) ICMT

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 NTSR1 3750/4885HTR6 4503/4885ICMT 1459/4885

“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.