SCHEMBL6868975

SCHEMBL6868975

CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](CO)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.51
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
KCNH2 Q12809 5/20 0.45
SLC2A1 P11166 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6965118 0.94 CCR8 (0.50) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6964570 0.94 CCR8 (0.50) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6971729 0.93 CCR8 (0.52) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6970273 0.90 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6970277 0.90 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6966222 0.89 CCR8 (0.49) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6965276 0.89 CCR8 (0.53) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6964191 0.89 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL7466144 0.88 CCR8 (0.53) CCR8KCNH2KDM4EALDH1A1
SCHEMBL8127941 0.88 CCR8 (0.49) CCR8MTNR1AMTNR1BKCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US claimed
US-20030203917-A1 Compounds and methods for the treatment of neoplastic disease SMITHKLINE BEECHAM CORPORATION AND SMITHKLINE BEECHAM P.L.C. 2003-10-30 US claimed
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP claimed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO claimed
US-20030203917-A1 Compounds and methods for the treatment of neoplastic disease SMITHKLINE BEECHAM CORPORATION AND SMITHKLINE BEECHAM P.L.C. 2003-10-30 US disclosed
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 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-20030203917-A1 Compounds and methods for the treatment of neoplastic disease TOP1, TOP2A, TOP2B CCR8 4312/4885MTNR1A 3526/4885MTNR1B 3650/4885

“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.