SCHEMBL586633

SCHEMBL586633

CON(C)C(=O)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
USP30 Q70CQ3 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL969838 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MAPTPOLBUSP30MEN1
SCHEMBL895391 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MAPTPOLBUSP30MEN1
SCHEMBL2847700 0.90 HPGD (0.40) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL971781 0.90 HPGD (0.40) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL3322339 0.90 HPGD (0.40) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL2213404 0.90 MAPT (0.38) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL3713407 0.86
SCHEMBL13058330 0.85 SMN1; SMN2 (0.37) SMN1; SMN2MAPTPOLBUSP30MEN1
SCHEMBL1935734 0.82 BCHE (0.42) SMN1; SMN2MAPTUSP30MEN1KMT2A
SCHEMBL389962 0.80 HPGD (0.54) SMN1; SMN2MAPTUSP30MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057013-A1 NLRP3 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-03-21 WO disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
EP-2417124-B1 Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI (US) 2013-12-18 EP disclosed
US-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 US disclosed
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 WO disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 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-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR SLC6A2, SLC6A4, TPH1 SMN1; SMN2 640/4885MAPT 450/4885POLB 1485/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 SMN1; SMN2 1712/4885MAPT 3809/4885POLB 4256/4885

“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.