SCHEMBL19583124

SCHEMBL19583124

O=C(O)[C@H]1COC[C@H](NCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
GRIN2B Q13224 1/20 0.47
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
BCHE P06276 1/20 0.44
FYN P06241 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
DPP4 P27487 1/20 0.42
ARG1 P05089 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
SCHEMBL17714473 1.00 LTA4H (0.50) LTA4HGRIN2BACHEBACE1BCHE
SCHEMBL19583125 1.00 LTA4H (0.50) LTA4HGRIN2BACHEBACE1BCHE
SCHEMBL17714471 0.86 ALDH1A1 (0.42) LTA4HGRIN2BACHEBCHEFYN
SCHEMBL17714472 0.86 ALDH1A1 (0.42) LTA4HGRIN2BACHEBCHEFYN
SCHEMBL17714470 0.86 ALDH1A1 (0.42) LTA4HGRIN2BACHEBCHEFYN
SCHEMBL20528646 0.82 GRIN2B (0.56) GRIN2BACHEBACE1BCHEFYN
SCHEMBL2370628 0.81 LTA4H (0.61) LTA4HGRIN2BACHEBACE1BCHE
SCHEMBL2401087 0.81 LTA4H (0.61) LTA4HGRIN2BACHEBACE1BCHE
SCHEMBL2370430 0.80 LTA4H (0.62) LTA4HGRIN2BACHEBACE1BCHE
SCHEMBL23948575 0.79 GRIN2B (0.50) GRIN2BACHEBACE1BCHEFYN

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-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 LILLY CO ELI (US) 2018-09-06 US disclosed
US-9962375-B2 Methyl-piperidine compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-08 US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 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-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 LTA4H 339/4885GRIN2B 1088/4885ACHE 1930/4885
US-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 LTA4H 439/4885GRIN2B 1136/4885ACHE 2256/4885

“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.