SCHEMBL3428819

SCHEMBL3428819

CCCCCCCCCN1CCCCC1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR5 Q9H228 3/20 0.49
GBA1 P04062 8/20 0.49
S1PR4 O95977 1/20 0.48
GBA2 Q9HCG7 11/20 0.42
GAA P10253 2/20 0.42
UGCG Q16739 1/20 0.42

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
SCHEMBL10590808 1.00 S1PR1 (0.49) S1PR1S1PR3S1PR5GBA1S1PR4
Methane SCHEMBL6600535 0.98 S1PR1 (0.48) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL2850065 0.98 S1PR1 (0.47) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL4229106 0.92 GBA2 (0.46) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL3265496 0.92 S1PR1 (0.50) S1PR1S1PR3S1PR5GBA1S1PR4
Pyrrolidine SCHEMBL4393172 0.89 GBA1 (0.43) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL28123990 0.86 GBA2 (0.47) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL27675556 0.84 GBA1 (0.43) S1PR1S1PR3S1PR5GBA1GAA
SCHEMBL19126196 0.79 CXCR4 (0.50) S1PR1S1PR3S1PR5GBA1S1PR4
SCHEMBL14079463 0.79 CXCR4 (0.50) S1PR1S1PR3S1PR5GBA1S1PR4

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
EP-1682504-B1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC (US) 2012-12-26 EP disclosed
US-20100189708-A1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS, INC. (US) 2010-07-29 US disclosed
US-7741340-B2 Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS, INC. (US) 2010-06-22 US disclosed
US-20050130972-A1 Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS, INC. 2005-06-16 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 (2 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-20100189708-A1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE GBA1, GAA, GBA2 S1PR1 905/4885S1PR3 947/4885S1PR5 1591/4885
US-20050130972-A1 Hydroxy piperidine derivatives to treat gaucher disease GBA1, GAA, GBA2 S1PR1 905/4885S1PR3 947/4885S1PR5 1591/4885

“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.