Sugi Predict

Sugi Predict / Compounds / SCHEMBL572824

SCHEMBL572824

SCHEMBL572824

CC(C)(C)OC(=O)C1CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ NOS2 P35228 2/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ EPHX1 P07099 2/20 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
SCHEMBL6433488 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL926731 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL28930290 0.98 GAA (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28945847 0.98 SCN9A (0.35) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL29510808 0.98 GAA (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8906767 0.98 SCN9A (0.35) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL248746 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
SCHEMBL40093 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
SCHEMBL248747 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
Hydrochloric Acid SCHEMBL661790 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4FAP

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 — — US claimed
US-20240425512-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 280 BIO, INC. (US) 2024-12-26 — — US disclosed
WO-2024254404-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 280 BIO, INC. (US) 2024-12-12 — — WO disclosed
CN-119101070-A Nitrogen-containing heterocyclic compound, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2024-12-10 — — CN disclosed
WO-2024183756-A1 BENZENE RING-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海再极医药科技有限公司 2024-09-12 — — WO disclosed
US-20230372537-A1 LIPID NANOPARTICLE FORMULATIONS ACUITAS THERAPEUTICS INC (CA) 2023-11-23 — — US disclosed
US-20230372537-A1 LIPID NANOPARTICLE FORMULATIONS ACUITAS THERAPEUTICS INC (CA) 2023-11-23 — — US disclosed
US-11771715-B2 Circular RNA compositions and methods ORNA THERAPEUTICS, INC. (US) 2023-10-03 — — US disclosed
US-11771715-B2 Circular RNA compositions and methods ORNA THERAPEUTICS, INC. (US) 2023-10-03 — — US disclosed
US-11766449-B2 Circular RNA compositions and methods ORNA THERAPEUTICS, INC. (US) 2023-09-26 — — US disclosed
US-4165320-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-08-21 — — US disclosed
US-4156786-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-29 — — US disclosed
US-4154936-A ENZYME INHIBITORS, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-15 — — US disclosed
US-4154946-A Amino mercapto substituted acylamino acids E. R. SQUIBB & SONS, INC. (US) 1979-05-15 — — US disclosed
US-4154960-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 — — US disclosed
US-4146611-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4140864-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 — — US disclosed
US-4129571-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-12 — — US disclosed
US-4116962-A ANGIOTENSIN CONVERTING ENXYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-09-26 — — US disclosed
US-4113715-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-09-12 — — 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 (5 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-20230372537-A1 LIPID NANOPARTICLE FORMULATIONS LIPA, PLIN3, PLIN1 SCN9A 1445/4885SCN3A 1960/4885SCN5A 2900/4885
US-11771715-B2 Circular RNA compositions and methods RTCB, HNRNPA1, HNRNPAB SCN9A 2904/4885SCN3A 3321/4885SCN5A 4341/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 SCN9A 2382/4885SCN3A 1807/4885SCN5A 1373/4885
US-20240425512-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF KRAS, NRAS, HRAS SCN9A 1388/4885SCN3A 649/4885SCN5A 731/4885
US-11766449-B2 Circular RNA compositions and methods RTCB, RNGTT, HNRNPAB SCN9A 3086/4885SCN3A 3428/4885SCN5A 4419/4885

“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.