SCHEMBL2204865

SCHEMBL2204865

CCOC(=O)c1[nH]c2ccccc2c1CCCO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.76
HTR1A P08908 1/20 0.73
DRD2 P14416 1/20 0.73
DRD4 P21917 1/20 0.73
HTR1D P28221 1/20 0.73
HTR1B P28222 1/20 0.73
HTR1F P30939 1/20 0.73
HTR7 P34969 1/20 0.73
DRD3 P35462 1/20 0.73
ALDH1A1 P00352 5/20 0.67
MAPT P10636 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
KDM4E B2RXH2 10/20 0.58
POLB P06746 1/20 0.58
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58

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
SCHEMBL3033159 0.89 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3195026 0.87 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9094606 0.87 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL1486947 0.86 HTR6 (1.00) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3029129 0.86 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D
Hydrochloric Acid SCHEMBL1486945 0.85 HTR6 (0.97) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204353 0.85 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7381366 0.85 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622353 0.85 MCL1 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5268569 0.85 HTR6 (0.70) HTR6HTR1ADRD2DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
CN-106456602-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2020-11-24 CN disclosed
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 US disclosed
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-11-01 US disclosed
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-10-09 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
EP-3122353-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2017-02-01 EP disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 WO disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
CN-101711235-A 7-unsubstituted indole MCL-1 inhibitors ABBOTT LAB 2010-05-19 CN disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 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 (11 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885HTR1A 1791/4885DRD2 4482/4885
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR6 1054/4885HTR1A 1279/4885DRD2 3586/4885
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR6 1041/4885HTR1A 1588/4885DRD2 3640/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR6 1054/4885HTR1A 1279/4885DRD2 3586/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR6 1041/4885HTR1A 1588/4885DRD2 3640/4885
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors MCL1, BCL2L1, BCLAF1 HTR6 1054/4885HTR1A 1279/4885DRD2 3586/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 HTR6 1041/4885HTR1A 1588/4885DRD2 3640/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885HTR1A 1791/4885DRD2 4482/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 HTR6 1054/4885HTR1A 1279/4885DRD2 3586/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HTR6 1041/4885HTR1A 1588/4885DRD2 3640/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 HTR6 1041/4885HTR1A 1588/4885DRD2 3640/4885

“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.