SCHEMBL359877

SCHEMBL359877

CN(CC1=NN(CCCC(F)(F)F)C(=O)C1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL14916980 0.87 ALDH1A1 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL10080807 0.86 HTR2C (0.33) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL14916433 0.85 ALDH1A1 (0.45) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL14916530 0.85 ALDH1A1 (0.45) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL10079906 0.85 HTR2C (0.32) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL14916546 0.85 ALDH1A1 (0.34) ALDH1A1GAAMAPTTHRB
SCHEMBL360803 0.83 CACNA1G (0.32) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL10079889 0.83 HTR2C (0.32) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL10080910 0.82 HTR2C (0.36) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL10080901 0.81 HTR2C (0.34) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4

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 24 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-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 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
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
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 WO 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 CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CACNA1G 975/4885CACNA1B 637/4885CACNA1C 700/4885

“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.