SCHEMBL360687

SCHEMBL360687

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
PDE4B Q07343 1/20 0.32
OPRM1 P35372 2/20 0.31
ALDH1A1 P00352 2/20 0.30
PLA2G1B P04054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TRPA1 O75762 2/20 0.30
NPY5R Q15761 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
SCHEMBL360055 0.99 KMT2A (0.34) KMT2APDE4BOPRM1ALDH1A1PLA2G1B
SCHEMBL359944 0.89 KMT2A (0.35) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL360883 0.88 ALDH1A1 (0.36) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL10080379 0.86 HTR2C (0.38) PDE4BOPRM1
SCHEMBL10080298 0.85 HTR2C (0.40) KMT2APDE4BOPRM1ALDH1A1PLA2G1B
SCHEMBL15344568 0.82 ALDH1A1 (0.30) ALDH1A1PLA2G1BNPSR1ATG4B
SCHEMBL15344561 0.81 ALDH1A1 (0.32) ALDH1A1PLA2G1BNPSR1ATG4B
SCHEMBL360216 0.79 TP53 (0.33) ALDH1A1
SCHEMBL359609 0.78
SCHEMBL15344567 0.77

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 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885PDE4B 1680/4885OPRM1 129/4885

“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.