SCHEMBL360689

SCHEMBL360689

CCOC(=O)c1cc(O)n(CCC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL21960379 0.85 ALDH1A1 (0.43) NR1H2CYP1A2GAAKMT2AADORA3
SCHEMBL5560879 0.82 CYP1A2 (0.46) NR1H2CYP1A2GAAKMT2ACA12
SCHEMBL27991486 0.81 PTGER1 (0.38) POLBKDM4E
SCHEMBL20388555 0.81 CYP1A2 (0.40) NR1H2CYP1A2GAAKMT2ACA12
SCHEMBL16796412 0.80 KMT2A (0.42) CYP1A2GAAKMT2ACA12CA1
SCHEMBL5198486 0.78 MAPK1 (0.45) CYP1A2GAAKMT2APOLBKDM4E
SCHEMBL16807019 0.77 KMT2A (0.41) CYP1A2GAAKMT2ACA12CA1
SCHEMBL9079745 0.77 NR1H2 (0.39) NR1H2CYP1A2GAAKMT2ACA12
SCHEMBL537688 0.77 CYP1A2 (0.47) NR1H2CYP1A2GAAKMT2ACA12
SCHEMBL5208277 0.77 CYP1A2 (0.44) NR1H2CYP1A2GAAKMT2ACA12

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 40 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-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-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-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-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 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
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
CN-103097357-A Pyrazole compound DAINIPPON SUMITOMO PHARMA CO 2013-05-08 CN 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 (6 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 NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A NR1H2 237/4885CYP1A2 263/4885GAA 4858/4885

“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.