SCHEMBL6527004

SCHEMBL6527004

CCCCCCCN1CCNC[C@@H]1CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.38
GNAO1 P09471 5/20 0.38
GNAI1 P63096 5/20 0.38
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR5 Q9H228 3/20 0.38
S1PR4 O95977 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
OPRD1 P41143 1/20 0.36
GBA1 P04062 1/20 0.35
BCHE P06276 1/20 0.34
PRKCA P17252 2/20 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
SCHEMBL7499655 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL6487784 0.88 S1PR1 (0.37) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL30426265 0.83 KDM4E (0.37)
SCHEMBL6484393 0.79 GBA1 (0.44) GNAI3GNAO1GNAI1TAAR1GBA1
SCHEMBL28538299 0.78 TSHR (0.38) GNAI3GNAO1GNAI1TAAR1
SCHEMBL28180032 0.78 TAAR1 (0.44) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL3106291 0.78 TAAR1 (0.44) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL9261256 0.77 GBA1 (0.43) GNAI3GNAO1GNAI1TAAR1GBA1
SCHEMBL6566400 0.77 TAAR1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL6439309 0.77 TAAR1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3

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 4 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

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 GNAI3 3383/4885GNAO1 2680/4885GNAI1 3251/4885

“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.