SCHEMBL14924853

SCHEMBL14924853

CCOC(=O)C(C1CCCCC1)N1N=C(CN(C)C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
SLC6A4 P31645 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HTR2A P28223 1/20 0.33
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL10080649 0.86 HTR2C (0.41) HTR2CSLC6A4L3MBTL1HTR2AALDH1A1
SCHEMBL10079931 0.85 HTR2C (0.43) HTR2CSLC6A4L3MBTL1HTR2ATSHR
SCHEMBL10079908 0.85 HTR2C (0.40) HTR2CSLC6A4L3MBTL1HTR2AALDH1A1
SCHEMBL15958409 0.84 L3MBTL1 (0.38) L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL10080658 0.79 HTR2C (0.37) HTR2CSLC6A4HTR2A
SCHEMBL10080299 0.78 HTR2C (0.33) HTR2CSLC6A4NFKB1NFKB2RELA
SCHEMBL22485443 0.76 HTR2C (0.32) HTR2CSLC6A4
SCHEMBL18896847 0.74 HTR2C (0.33) HTR2CSLC6A4HTR2A
SCHEMBL10080296 0.74 HTR2C (0.48) HTR2CSLC6A4HTR2A
SCHEMBL10079903 0.73 HTR2C (0.47) HTR2CSLC6A4HTR2A

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 13 patents. 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-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-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
EP-2594559-B1 PYRAZOLE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-24 EP disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20140315971-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A HTR2C 1/4885SLC6A4 22/4885L3MBTL1 2964/4885

“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.