SCHEMBL21748791

SCHEMBL21748791

C[C@H]1CN(C(=O)O)CC[C@@H]1N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ SMYD3 Q9H7B4 4/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL23885771 1.00 ALDH1A1 (0.33) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL29183209 1.00 ALDH1A1 (0.33) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL22612643 1.00 ALDH1A1 (0.33) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL3116551 1.00 ALDH1A1 (0.33) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL3124376 1.00 ALDH1A1 (0.33) ALDH1A1ACHENPC1LMNAMEN1
Hydrochloric Acid SCHEMBL28502789 0.98 GNAI3 (0.33) ALDH1A1ACHENPC1LMNAMEN1
Hydrochloric Acid SCHEMBL28502790 0.98 GNAI3 (0.33) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL22496874 0.84 LMNA (0.37) ALDH1A1ACHENPC1LMNAMEN1
SCHEMBL2377686 0.84 EPHX2 (0.37) ALDH1A1NPC1CHRNA7
SCHEMBL16169058 0.84 EPHX2 (0.37) ALDH1A1NPC1CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-11 — — US disclosed
WO-2023187677-A1 N-(PYRROLIDIN-3-YL OR PIPERIDIN-4-YL)ACETAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-05 — — WO disclosed
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 — — US disclosed
US-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-29 — — US disclosed
CN-112236423-A Piperidinyl-3- (aryloxy) propanamides and propionates 武田药品工业株式会社 2021-01-15 — — CN disclosed
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-27 — — 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 (4 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-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885ACHE 2096/4885NPC1 3802/4885
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885ACHE 2096/4885NPC1 3802/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885ACHE 2096/4885NPC1 3802/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ALDH1A1 1476/4885ACHE 2096/4885NPC1 3802/4885

“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.

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