SCHEMBL10079932

SCHEMBL10079932

CN(CC1=NN(Cc2ccccc2)C(=O)C1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
SLC6A4 P31645 4/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
GLS O94925 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
AKT1 P31749 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36

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
SCHEMBL10080809 0.89 HTR2C (0.44) HTR2CSLC6A4ALDH1A1GAATHRB
SCHEMBL10080392 0.88 HTR2C (0.49) HTR2CSLC6A4ALDH1A1GAATHRB
SCHEMBL10080819 0.86 RIPK1 (0.40) HTR2CSLC6A4ALDH1A1KDM4EPOLB
SCHEMBL359249 0.85 ALDH1A1 (0.56) ALDH1A1GAATHRBKDM4EHPGD
SCHEMBL10080901 0.81 HTR2C (0.34) HTR2CSLC6A4
SCHEMBL10080295 0.81 HTR2C (0.42) HTR2CSLC6A4KMT2AJAK2JAK1
SCHEMBL10080808 0.80 HTR2C (0.33) HTR2CSLC6A4ALDH1A1GAAPOLB
SCHEMBL10080807 0.79 HTR2C (0.33) HTR2CSLC6A4
SCHEMBL10080375 0.79 HTR2C (0.45) HTR2CSLC6A4PDE4BKMT2A
SCHEMBL10079903 0.79 HTR2C (0.47) HTR2CSLC6A4PDE4BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 US disclosed
US-10723703-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-28 US disclosed
US-20190084938-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2019-03-21 US disclosed
US-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 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-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885ALDH1A1 2035/4885

“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.