SCHEMBL360112

SCHEMBL360112

CC(C)CCCN1N=C(C(C)N(C)C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 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
SCHEMBL10080822 0.93 LMNA (0.31) LMNA
SCHEMBL14915983 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTTHRBLMNA
SCHEMBL10080300 0.82 KMT2A (0.33) ALDH1A1
SCHEMBL10079890 0.81 NPC1 (0.34) ALDH1A1LMNA
SCHEMBL15957863 0.81 SMN1; SMN2 (0.41) ALDH1A1GAAMAPTTHRB
SCHEMBL10080902 0.81
SCHEMBL10080379 0.79 HTR2C (0.38)
SCHEMBL10080298 0.78 HTR2C (0.40) ALDH1A1
SCHEMBL360216 0.77 TP53 (0.33) ALDH1A1GAAMAPTTHRBLMNA
SCHEMBL10079889 0.74 HTR2C (0.32) LMNA

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 ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885MAPT 3845/4885

“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.