SCHEMBL29626583

SCHEMBL29626583

[3H]C([3H])([3H])n1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 5/20 1.00
▸ CYP2C9 P11712 2/20 0.90
▸ PMP22 Q01453 2/20 0.90
▸ NPSR1 Q6W5P4 2/20 0.90
▸ CYP1A2 P05177 1/20 0.90
▸ ALOX15 P16050 1/20 0.90
▸ NFKB1 P19838 1/20 0.90
▸ CARM1 Q86X55 1/20 0.48
▸ PRMT6 Q96LA8 1/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ NR4A2 P43354 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
SCHEMBL1502039 0.94 HTR4 (1.00) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL29397805 0.94 HTR4 (1.00) HTR4CYP2C9PMP22NPSR1CYP1A2
Maleic Acid SCHEMBL2942174 0.90 HTR4 (0.90) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7293994 0.89 HTR4 (0.89) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7300971 0.85 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
Maleic Acid SCHEMBL7295111 0.84 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
Fumaric Acid SCHEMBL7295114 0.84 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7300888 0.82 HTR4 (0.77) HTR4CYP2C9PMP22NPSR1CYP1A2
Hydrochloric Acid SCHEMBL7291228 0.81 HTR4 (0.76) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7294699 0.81 HTR4 (0.76) HTR4CYP2C9PMP22NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137691-A1 WB3 FOR ANESTHESIA AND TREATING PAIN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-05-21 — — US disclosed
US-20250228860-A1 METHOD OF TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2025-07-17 — — US disclosed
US-12240816-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2025-03-04 — — US disclosed
US-20250009752-A1 METHOD OF TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) SUPERNUS PHARMACEUTICALS INC (US) 2025-01-09 — — US disclosed
US-12121523-B2 Method of treatment of attention deficit/hyperactivity disorder (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2024-10-22 — — US disclosed
US-20240132451-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2024-04-25 — — US disclosed
EP-3337486-B1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS INC (US) 2024-04-03 — — EP disclosed
US-11845722-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2023-12-19 — — US disclosed
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-20230102784-A1 METHOD OF TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2023-03-30 — — US disclosed
US-11459300-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2022-10-04 — — US disclosed
US-11458143-B2 Method of treatment of attention deficit/hyperactivity disorder (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2022-10-04 — — US disclosed
US-20220233548-A1 METHOD OF TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2022-07-28 — — US disclosed
US-11324753-B2 Method of treatment of attention deficit/hyperactivity disorder (ADHD) SUPERNUS PHARMACEUTICALS, INC. (US) 2022-05-10 — — 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 (6 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-20260137691-A1 WB3 FOR ANESTHESIA AND TREATING PAIN WNT3, TRPV3, ADRB3 HTR4 1023/4885CYP2C9 73/4885PMP22 2635/4885
US-11845722-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR4 470/4885CYP2C9 2040/4885PMP22 582/4885
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR4 470/4885CYP2C9 2040/4885PMP22 582/4885
US-12240816-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR4 470/4885CYP2C9 2040/4885PMP22 582/4885
US-11459300-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR4 470/4885CYP2C9 2040/4885PMP22 582/4885
US-20240132451-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR4 470/4885CYP2C9 2040/4885PMP22 582/4885

“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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