SCHEMBL7305101

SCHEMBL7305101

CC(=O)N(Cc1ccc(Cl)cc1Cl)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
HTR6 P50406 3/20 0.35
MCL1 Q07820 5/20 0.35
BAD Q92934 1/20 0.35
NTSR1 P30989 2/20 0.34
TSPO P30536 1/20 0.33
SERPINE1 P05121 1/20 0.33
CD38 P28907 1/20 0.32
ICMT O60725 1/20 0.32
F10 P00742 1/20 0.32
P2RX7 Q99572 1/20 0.32
CHRM1 P11229 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 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
SCHEMBL7312233 0.86 HTR6 (0.36) HTR6MCL1NTSR1ICMTGSK3A
SCHEMBL7318525 0.86 NTSR1 (0.38) HTR6MCL1BADNTSR1TSPO
SCHEMBL7315194 0.83 HTR6 (0.36) HTR6MCL1NTSR1ICMTGSK3A
SCHEMBL7316939 0.82 OPRM1 (0.36) HTR6MCL1BADNTSR1ICMT
SCHEMBL7314992 0.81 TSPO (0.46) HTR6MCL1BADTSPOICMT
SCHEMBL7320265 0.80 ICMT (0.45) HTR6MCL1BADICMT
SCHEMBL7396434 0.74 MTNR1A (0.36) CYP19A1MCL1TSPOSERPINE1CHRM1
SCHEMBL7314014 0.74 HTR6 (0.35) HTR6MCL1NTSR1ICMTGSK3A
SCHEMBL7306862 0.73 HTR6 (0.35) HTR6MCL1BADNTSR1ICMT
SCHEMBL7307180 0.73 HTR6 (0.35) HTR6MCL1NTSR1ICMT

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 CYP19A1 4833/4885HTR6 4503/4885MCL1 696/4885

“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.