SCHEMBL4042398

SCHEMBL4042398

CC(C)c1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
BCHE P06276 2/20 0.58
ACHE P22303 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
SLC18A3 Q16572 3/20 0.54

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
SCHEMBL6344464 0.86 HTR2A (0.73) HTR2AHTR2CHTR2BBCHEACHE
SCHEMBL7238335 0.86 HTR2A (0.60) HTR2AHTR2CHTR2BKCNH2SLC18A3
SCHEMBL10963541 0.85 KCNH2 (0.73) HTR2AHTR2CHTR2BKCNH2ALDH1A1
SCHEMBL6154035 0.85 HTR2A (0.69) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL228242 0.83 HTR2A (0.76) HTR2AHTR2CHTR2BSLC18A3
SCHEMBL6154064 0.83 GAA (0.70) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL6209404 0.83 HTR2A (0.66) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL30516673 0.82 SLC18A3 (0.74) HTR2AHTR2CHTR2BACHELMNA
SCHEMBL5539621 0.80 SIGMAR1 (0.65) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL9256804 0.80 HTR2A (0.81) HTR2AHTR2CHTR2BLMNASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
EP-0988289-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-29 EP disclosed
WO-1998055454-A2 BENZOFURANS AND BENZOTHOPHENES AS SUPPRESSORS OF NEURODEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-10 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 (4 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO HTR2A 1719/4885HTR2C 1738/4885HTR2B 1379/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 HTR2A 380/4885HTR2C 637/4885HTR2B 195/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 HTR2A 1013/4885HTR2C 757/4885HTR2B 701/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 HTR2A 512/4885HTR2C 608/4885HTR2B 256/4885

“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.