SCHEMBL2206667

SCHEMBL2206667

CCOC(=O)c1[nH]c2ccccc2c1CCCOc1c(C)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.61
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR1F P30939 1/20 0.59
HTR7 P34969 1/20 0.59
DRD3 P35462 1/20 0.59
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MCL1 Q07820 15/20 0.54
BCL2 P10415 3/20 0.54
ALB P02768 1/20 0.54
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48

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
SCHEMBL2204935 0.88 MCL1 (0.70) MCL1BCL2ALB
SCHEMBL30679056 0.85 MCL1 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2202505 0.85 MCL1 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622290 0.84 MCL1 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622353 0.82 MCL1 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622705 0.80 MCL1 (0.77) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2205702 0.80 HTR6 (0.60) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL17044346 0.80 MCL1 (0.50) MCL1BCL2ALB
SCHEMBL2204865 0.79 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3033159 0.79 HTR6 (0.80) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2134685-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885HTR1A 1791/4885DRD2 4482/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885HTR1A 1791/4885DRD2 4482/4885

“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.