SCHEMBL219533

SCHEMBL219533

BrCCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
HTR6 P50406 3/20 0.67
HTR2C P28335 3/20 0.67
CYP3A4 P08684 2/20 0.67
HTR1D P28221 2/20 0.67
MPO P05164 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2A6 P11509 1/20 0.67
NFKB1 P19838 1/20 0.67
HTR1B P28222 1/20 0.67
HTR7 P34969 1/20 0.67
CTSK P43235 1/20 0.67
CYP2A13 Q16696 1/20 0.67
TAAR1 Q96RJ0 1/20 0.67
PMP22 Q01453 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
AHR P35869 1/20 0.64

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
SCHEMBL29384576 1.00 HTR2A (0.67) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL3996996 0.89 SLC6A4 (0.63) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL4985934 0.87 HTR2A (0.77) HTR2AHTR6HTR2CCYP3A4HTR1D
Indole SCHEMBL11742048 0.87 HTR2A (0.53) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL4636791 0.87 SLC6A4 (0.61) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL7004146 0.83 HTR2A (0.71) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL7005718 0.83 HTR2A (0.71) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL1999571 0.83 MEN1 (0.69) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL7889427 0.82 HTR2A (0.69) HTR2AHTR6HTR2CCYP3A4HTR1D
SCHEMBL7001306 0.82 HTR2A (0.69) HTR2AHTR6HTR2CCYP3A4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877949-B2 Anticancer treatment methods involving analogs and derivatives of 3-(2-substituted-ethyl) indole compounds TUSKEGEE UNIVERSITY (US) 2018-01-30 US claimed
US-20150164860-A1 ANTICANCER TREATMENT METHODS INVOLVING ANALOGS AND DERIVATIVES OF 3-(2-SUBSTITUTED-ETHYL) INDOLE COMPOUNDS TUSKEGEE UNIVERSITY (US) 2015-06-18 US claimed
EP-1420021-A1 DNA Methyltransferase inhibitors The Penn State Research Foundation (US) 2004-05-19 EP claimed
JP-2003501431-A 2003-01-14 JP claimed
EP-1181291-A2 DNA METHYLTRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2002-02-27 EP claimed
WO-2000075142-A2 DNA METHYLTRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2000-12-14 WO claimed
US-6106599-A Inks XEROX CORPORATION (US) 2000-08-22 US claimed
US-20260034119-A1 5-METHOXY-N,N-DIMETHYLTRYPTAMINE ANALOGS, THEIR SYNTHESIS, AND METHODS FOR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC, AND SUBSTANCE USE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2026-02-05 US disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-20240208944-A1 Quinazoline Derivatives, Pharmaceutical Compositions, and Therapeutic Uses Related to Nox Inhibition UNIV EMORY (US) 2024-06-27 US disclosed
US-20240208944-A1 Quinazoline Derivatives, Pharmaceutical Compositions, and Therapeutic Uses Related to Nox Inhibition UNIV EMORY (US) 2024-06-27 US disclosed
US-4012511-A ANTIULCER AGENTS AYERST MCKENNA & HARRISON LTD. (CA) 1977-03-15 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 US disclosed
US-3995052-A Indenopyran- and indenothiopyranalkylamines III in the treatment of depression AYERST MCKENNA AND HARRISON LTD. (CA) 1976-11-30 US disclosed
US-3974179-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3962236-A ANTIDEPRESSANTS, ANTI-ULCER AYERST MCKENNA AND HARRISON LTD. (CA) 1976-06-08 US disclosed
US-3957816-A ANTI-FERTILITY AGENTS SANDOZ, INC. (US) 1976-05-18 US disclosed
US-3939178-A ANTIINFLAMMATORY, ANALGESIC, BACTERICIDE, FUNGICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-17 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-20260034119-A1 5-METHOXY-N,N-DIMETHYLTRYPTAMINE ANALOGS, THEIR SYNTHESIS, AND METHODS FOR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC, AND SUBSTANCE USE DISORDERS HTR4, OPRM1, HTR7 HTR2A 12/4885HTR6 8/4885HTR2C 5/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD HTR2A 3693/4885HTR6 1713/4885HTR2C 2635/4885
US-20240208944-A1 Quinazoline Derivatives, Pharmaceutical Compositions, and Therapeutic Uses Related to Nox Inhibition NOX1, NOX5, NOX3 HTR2A 1936/4885HTR6 2656/4885HTR2C 2138/4885
US-20150164860-A1 ANTICANCER TREATMENT METHODS INVOLVING ANALOGS AND DERIVATIVES OF 3-(2-SUBSTITUTED-ETHYL) INDOLE COMPOUNDS MCL1, BAD, API5 HTR2A 357/4885HTR6 194/4885HTR2C 247/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 HTR2A 3355/4885HTR6 4153/4885HTR2C 3247/4885

“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.