SCHEMBL16857531

SCHEMBL16857531

O=C(NC(=O)[C@@H]1CC[C@H](O)CN1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.43
CPB1 P15086 2/20 0.42
MASP2 O00187 1/20 0.42
NAAA Q02083 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL16857533 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRCPB1MASP2
SCHEMBL16857534 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRCPB1MASP2
SCHEMBL994204 0.83 TSHR (0.53) ALDH1A1GAATSHRSMN1; SMN2HTR2C
SCHEMBL941594 0.82 HTR2C (0.59) ALDH1A1GAATSHRCPB1EPHX1
Hydrochloric Acid SCHEMBL27533472 0.82 TSHR (0.55) ALDH1A1GAATSHRSMN1; SMN2HTR2C
SCHEMBL11337359 0.81 HTR2C (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL6167367 0.80 CTSC (0.54) ALDH1A1GAATSHRCPB1MASP2
SCHEMBL9928727 0.80 CTSC (0.54) ALDH1A1GAATSHRCPB1MASP2
SCHEMBL9928693 0.80 CTSC (0.54) ALDH1A1GAATSHRCPB1MASP2
SCHEMBL12479526 0.79 GLA (0.43) ALDH1A1GAATSHRCPB1MASP2

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 ALDH1A1 22/4885GAA 3886/4885TSHR 3731/4885

“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.