SCHEMBL6487355

SCHEMBL6487355

CCCCCCCN1CCNC[C@H]1COC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR5 Q9H228 3/20 0.35
S1PR4 O95977 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GNAO1 P09471 6/20 0.33
GNAI3 P08754 5/20 0.33
GNAI1 P63096 5/20 0.33
CES2 O00748 3/20 0.33
GBA1 P04062 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
CES1 P23141 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL6487353 0.81 PRKCD (0.37) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6487784 0.77 S1PR1 (0.37) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6527004 0.75 GNAI3 (0.38) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL7499655 0.75 GNAI3 (0.38) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6484393 0.75 GBA1 (0.44) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL3106291 0.74 TAAR1 (0.44) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL28180032 0.74 TAAR1 (0.44) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL9261256 0.74 GBA1 (0.43) TAAR1GNAO1GNAI3GNAI1GBA1
SCHEMBL6439309 0.73 TAAR1 (0.52) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6566400 0.73 TAAR1 (0.52) S1PR1S1PR3S1PR5S1PR4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed
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-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 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 S1PR1 3770/4885S1PR3 3960/4885S1PR5 3903/4885

“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.