SCHEMBL3032228

SCHEMBL3032228

O=C(O)C1(c2ccc(Br)cc2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ AKT1 P31749 4/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ MME P08473 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
Chloromethane SCHEMBL25296246 0.95 OPRM1 (0.46) AKR1C1OPRM1AKT1HDAC1MME
SCHEMBL28173281 0.87 AKT1 (0.44) OPRM1AKT1HDAC1MME
SCHEMBL2221 0.87 AKR1C1 (0.55) AKR1C1HDAC1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL28173275 0.86 AKT1 (0.43) OPRM1AKT1HDAC1MME
SCHEMBL3910628 0.85 AKR1C1 (0.53) AKR1C1HDAC1MEN1KMT2ATSHR
SCHEMBL30711945 0.84 AKT1 (0.45) OPRM1AKT1HDAC1MMEKMT2A
Water SCHEMBL3910626 0.83 AKR1C1 (0.52) AKR1C1HDAC1MEN1KMT2ATSHR
SCHEMBL9966557 0.83 AKR1C1 (0.68) AKR1C1HDAC1MEN1KMT2ATSHR
SCHEMBL373567 0.83 AKR1C1 (0.68) AKR1C1OPRM1HDAC1KMT2A
SCHEMBL1492737 0.83 AKR1C1 (0.62) AKR1C1HDAC1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 — — EP disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 — — WO disclosed
CN-118510751-A Method for producing amide compound 中外制药株式会社 2024-08-16 — — CN disclosed
WO-2023239727-A1 LATS INHIBITORS AND USES THEREOF THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-14 — — WO disclosed
WO-2023132352-A1 METHOD FOR PRODUCING AMIDE COMPOUND 中外製薬株式会社 2023-07-13 — — WO disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 — — US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 — — US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 — — US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 — — EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 — — WO disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 — — US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 — — WO 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 AKR1C1 427/4885OPRM1 494/4885AKT1 1615/4885
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 AKR1C1 2289/4885OPRM1 361/4885AKT1 73/4885

“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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