SCHEMBL360883

SCHEMBL360883

CC(C1=NN(CCC2CCCCC2)C(=O)C1)N(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RORC P51449 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPY5R Q15761 1/20 0.32
KLK7 P49862 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
CHRM3 P20309 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL359944 0.99 KMT2A (0.35) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL360055 0.89 KMT2A (0.34) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL360687 0.88 KMT2A (0.32) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL10079890 0.87 NPC1 (0.34) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL10080300 0.85 KMT2A (0.33) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL15344581 0.84 RORC (0.32) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL15344544 0.83 RORC (0.31) RORCKLK7
SCHEMBL360216 0.80 TP53 (0.33) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL15344580 0.80 RORC (0.32) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL10080298 0.79 HTR2C (0.40) ALDH1A1NPC1RAB9AKMT2AMEN1

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 16 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-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
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 ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885NPC1 2424/4885RAB9A 722/4885

“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.