SCHEMBL360686

SCHEMBL360686

CC(CNC(=O)O)C1=NN(CC2CCCC2)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
LIPE Q05469 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
PDE4B Q07343 1/20 0.31
P2RY14 Q15391 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL360054 0.99 KMT2A (0.36) KMT2AMEN1TAAR1LIPECYP2D6
SCHEMBL359943 0.89 KMT2A (0.39) KMT2AMEN1TAAR1LIPEALDH1A1
SCHEMBL360882 0.88 MEN1 (0.41) KMT2AMEN1LIPECYP2D6ALDH1A1
SCHEMBL15344567 0.76
SCHEMBL15344566 0.76 CNR1 (0.34) ALDH1A1PLA2G1BNPSR1ATG4BCNR1
SCHEMBL360687 0.76 KMT2A (0.32) KMT2AMEN1ALDH1A1PLA2G1BNPSR1
SCHEMBL15344560 0.75 KMT2A (0.31) KMT2ACNR1CNR2
SCHEMBL15344559 0.75 CNR1 (0.36) LIPEALDH1A1PLA2G1BNPSR1ATG4B
SCHEMBL360055 0.75 KMT2A (0.34) KMT2AMEN1ALDH1A1PLA2G1BNPSR1
SCHEMBL360469 0.73 KMT2A (0.37) KMT2AMEN1CYP2D6ALDH1A1POLB

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 15 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-10087146-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-10-02 US disclosed
US-20180273489-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2018-09-27 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
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
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 (11 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 KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885TAAR1 73/4885

“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.