SCHEMBL360068

SCHEMBL360068

CN(CC1=NN(CC2CC2)C(=O)C1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NOTUM Q6P988 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
SCHEMBL14917010 0.95 CNR2 (0.31) CNR2KMT2A
SCHEMBL361566 0.94 KMT2A (0.35) CNR2KMT2ANPC1KCNH2HRH3
SCHEMBL360468 0.94 KMT2A (0.38) CNR2KMT2ANPC1KCNH2HRH3
SCHEMBL360212 0.93 KMT2A (0.39) CNR2KMT2AKCNH2HRH3
SCHEMBL14953070 0.90 P2RX7 (0.31) NPC1
SCHEMBL360189 0.88 NPC1 (0.32) NPC1
SCHEMBL14917056 0.85 KMT2A (0.30) KMT2A
SCHEMBL14917312 0.83 KCNH2 (0.31) KCNH2HRH3
SCHEMBL368777 0.81 OPRK1 (0.34) KMT2ANPC1
SCHEMBL14917276 0.80 L3MBTL1 (0.40) KMT2A

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CNR2 40/4885KMT2A 2238/4885NPC1 2424/4885

“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.