SCHEMBL3007585

SCHEMBL3007585

C[C@H](N)C(=O)c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ CYP2D6 P10635 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ ENPEP Q07075 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.34

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
Hydrochloric Acid SCHEMBL22614733 0.98 CES2 (0.47) CES2CES1CYP2D6KMT2ACHRM2
SCHEMBL508009 0.84 CES2 (0.52) CES2CES1CYP2D6KMT2ACHRM2
SCHEMBL9559796 0.82 ALDH1A1 (0.55) CYP2D6CHRM2ADRA2BADRA2CCHRM3
SCHEMBL21753375 0.82 SLC6A2 (0.46) CYP2D6KMT2ACHRM2ADRA2BADRA2C
SCHEMBL16868406 0.82 ALDH1A1 (0.55) CYP2D6CHRM2ADRA2BADRA2CCHRM3
SCHEMBL1707132 0.81 CYP2D6 (0.36) CYP2D6KMT2ACHRM2ADRA2BADRA2C
SCHEMBL28312772 0.81 CA1 (0.52) CYP2D6KMT2ACHRM2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL22614731 0.79 CYP2D6 (0.36) CYP2D6KMT2ACHRM2ADRA2BADRA2C
SCHEMBL1230893 0.79 SLC7A5 (0.42) CES2CES1KMT2AANPEPENPEP
SCHEMBL11043243 0.78 CES2 (0.46) CES2CES1CYP2D6KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 — — EP claimed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 — — WO claimed
CN-110554018-A Surface enhanced Raman material for detecting 4-bromomethcathinone in aqueous solution and preparation method thereof SHANGHAI CRIMINAL SCIENCE TECH RESEARCH INSTITUTE 2019-12-10 — — CN claimed
US-20100172916-A1 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-07-08 — — US claimed
WO-2010054286-A2 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — WO claimed
EP-3841085-B1 NBOME TEST UNIV SYDNEY TECHNOLOGY (AU) 2026-05-06 — — EP disclosed
EP-4687880-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT Tactogen Inc. (US) 2026-02-11 — — EP disclosed
US-20260027148-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS BEXSON BIOMEDICAL INC (US) 2026-01-29 — — US disclosed
US-20260021069-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2026-01-22 — — US disclosed
US-20260014191-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS BEXSON BIOMEDICAL INC (US) 2026-01-15 — — US disclosed
US-20260014190-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS BEXSON BIOMEDICAL INC (US) 2026-01-15 — — US disclosed
US-12472201-B2 Complexing agent salt formulations of pharmaceutical compounds BEXSON BIOMEDICAL, INC. (US) 2025-11-18 — — US disclosed
US-11534454-B2 Complexing agent salt formulations of pharmaceutical compounds BEXSON BIOMEDICAL, INC. (US) 2022-12-27 — — US disclosed
WO-2022109050-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS BEXSON BIOMEDICAL, INC. (US) 2022-05-27 — — WO disclosed
US-20220152088-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS BEXSON BIOMEDICAL, INC. 2022-05-19 — — US disclosed
CN-110554018-A Surface enhanced Raman material for detecting 4-bromomethcathinone in aqueous solution and preparation method thereof SHANGHAI CRIMINAL SCIENCE TECH RESEARCH INSTITUTE 2019-12-10 — — CN disclosed
CN-110554018-A Surface enhanced Raman material for detecting 4-bromomethcathinone in aqueous solution and preparation method thereof SHANGHAI CRIMINAL SCIENCE TECH RESEARCH INSTITUTE 2019-12-10 — — CN disclosed
CN-110554018-A Surface enhanced Raman material for detecting 4-bromomethcathinone in aqueous solution and preparation method thereof SHANGHAI CRIMINAL SCIENCE TECH RESEARCH INSTITUTE 2019-12-10 — — CN disclosed
US-20100172916-A1 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-07-08 — — US disclosed
WO-2010054286-A2 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — 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 (8 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-20260014191-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS SLC6A4, SLC6A3, SIGMAR1 CES2 366/4885CES1 2735/4885CYP2D6 25/4885
US-20260021069-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT HCN1, HCN4, CRH CES2 140/4885CES1 714/4885CYP2D6 677/4885
US-20100172916-A1 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS MC1R, TYR, MITF CES2 2861/4885CES1 3093/4885CYP2D6 385/4885
US-20260027148-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS SLC6A3, SIGMAR1, SLC6A4 CES2 436/4885CES1 2747/4885CYP2D6 29/4885
US-20220152088-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS SLC10A1, SLC5A6, MC2R CES2 2013/4885CES1 2938/4885CYP2D6 1358/4885
US-11534454-B2 Complexing agent salt formulations of pharmaceutical compounds SLC10A1, SLC5A6, MC2R CES2 2013/4885CES1 2938/4885CYP2D6 1358/4885
US-12472201-B2 Complexing agent salt formulations of pharmaceutical compounds SLC10A1, SLC5A6, MC2R CES2 2013/4885CES1 2938/4885CYP2D6 1358/4885
US-20260014190-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS SIGMAR1, OPRK1, SLC6A2 CES2 545/4885CES1 2465/4885CYP2D6 26/4885

“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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