SCHEMBL3425650

SCHEMBL3425650

CCCCCCCCC1CCCCN1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.52
S1PR3 Q99500 3/20 0.52
S1PR5 Q9H228 3/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
S1PR4 O95977 1/20 0.41
LSS P48449 2/20 0.39
SPHK2 Q9NRA0 3/20 0.38
SPHK1 Q9NYA1 3/20 0.38
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3426408 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL3425956 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL27685420 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL3425965 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL2850062 0.98 S1PR1 (0.50) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL3425018 0.92 S1PR1 (0.44) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL3265494 0.92 S1PR1 (0.49) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL27656406 0.86 S1PR1 (0.43) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL28761544 0.86 CYP1A2 (0.42) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL9818802 0.79 S1PR1 (0.61) S1PR1S1PR3S1PR5CHRNB2CHRNA7

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 7 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
EP-1682504-A4 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC (US) 2008-10-22 EP disclosed
EP-1682504-A2 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE Amicus Therapeutics Inc. (US) 2006-07-26 EP disclosed
US-20050130972-A1 Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS, INC. 2005-06-16 US disclosed
WO-2005046612-A2 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC. (US) 2005-05-26 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 (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.