SCHEMBL16857510

SCHEMBL16857510

O=C(OCc1ccccc1)[C@@H]1CC[C@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
FKBP1A P62942 7/20 0.51
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
PREP P48147 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2C19 P33261 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL16857515 1.00 POLB (0.52) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16857513 1.00 POLB (0.52) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16857489 0.93 POLB (0.53) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16857491 0.93 POLB (0.53) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16857493 0.93 POLB (0.53) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16622615 0.91 POLB (0.54) POLBFKBP1AKLK7KLK5PREP
SCHEMBL9844508 0.91 POLB (0.54) POLBFKBP1AKLK7KLK5PREP
SCHEMBL16857362 0.91 POLB (0.54) POLBFKBP1AKLK7KLK5PREP
SCHEMBL8403581 0.91 POLB (0.54) POLBFKBP1AKLK7KLK5PREP
SCHEMBL17024448 0.91 POLB (0.53) POLBKLK7KLK5PREPSMN1; SMN2

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-2889288-B1 METHOD FOR PRODUCING cis-5-HYDROXY-2-PIPERIDINECARBOXYLIC ACID DERIVATIVE, AND METHOD FOR PURIFYING cis-5-HYDROXY-2-PIPERIDINECARBOXYLIC ACID API CORP (JP) 2018-07-25 EP disclosed
US-9981984-B2 Method for producing cis-5-hydroxy-2-piperidinecarboxylic acid derivative, and method for purifying cis-5-hydroxy-2-piperidinecarboxylic acid API CORPORATION (JP) 2018-05-29 US disclosed
US-20150239906-A1 Method for Producing cis-5-hydroxy-2-piperidinecarboxylic Acid Derivative, and Method for Purifying cis-5-hydroxy-2-piperidinecarboxylic Acid UBE CORPORATION (JP) 2015-08-27 US disclosed
EP-2889288-A1 METHOD FOR PRODUCING cis-5-HYDROXY-2-PIPERIDINECARBOXYLIC ACID DERIVATIVE, AND METHOD FOR PURIFYING cis-5-HYDROXY-2-PIPERIDINECARBOXYLIC ACID API Corporation (JP) 2015-07-01 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-20150239906-A1 Method for Producing cis-5-hydroxy-2-piperidinecarboxylic Acid Derivative, and Method for Purifying cis-5-hydroxy-2-piperidinecarboxylic Acid HCAR2, HCAR1, C5 POLB 3432/4885FKBP1A 690/4885KLK7 4156/4885

“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.