SCHEMBL2886464

SCHEMBL2886464

OCCN1CC[C@@H](OCCF)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SLC18A3 Q16572 1/20 0.34
LIPG Q9Y5X9 1/20 0.32
ESR1 P03372 1/20 0.30
MAPK1 P28482 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL5267864 0.90 ESR1 (0.33) NPC1LIPGESR1HRH1
SCHEMBL5267861 0.81 NPC1 (0.33) NPC1ESR1
SCHEMBL2118658 0.80 NPC1 (0.39) NPC1HRH1
SCHEMBL2116796 0.79 NPC1 (0.43) NPC1HRH1
SCHEMBL15685469 0.76 SLC18A3 (0.37) SLC18A3MAPK1
SCHEMBL15685468 0.76 SLC18A3 (0.37) SLC18A3MAPK1
SCHEMBL6043379 0.76 SLC18A3 (0.37) SLC18A3MAPK1
Hydrochloric Acid SCHEMBL25364283 0.74 SLC18A3 (0.36) SLC18A3MAPK1
SCHEMBL15833659 0.73 LIPG (0.35) NPC1LIPGESR1
SCHEMBL2118654 0.72 NPC1 (0.38) NPC1

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-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR NPC1 4658/4885SLC18A3 3595/4885LIPG 4860/4885

“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.