SCHEMBL5536262

SCHEMBL5536262

CN1CCN(c2ccc(NC=O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
ADRA2C P18825 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GFER P55789 1/20 0.52
PTK2B Q14289 1/20 0.52
ESR2 Q92731 1/20 0.52
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
ADRA2A P08913 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL29037744 0.85 ALDH1A1 (0.46) ALDH1A1GAAMAPTKMT2ANPC1
SCHEMBL29037799 0.85 L3MBTL3 (0.49) ALDH1A1KMT2A
SCHEMBL13973359 0.84 ALDH1A1 (0.57) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL10133331 0.83 TRIM24 (0.57) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL21254468 0.83 NPC1 (0.69) ALDH1A1MAPTKMT2AKDM4ENPC1
SCHEMBL5743062 0.82 ALDH1A1 (0.52) ALDH1A1ADRA2CGAAMAPTKMT2A
SCHEMBL25572181 0.82 HDAC3 (0.43) ALDH1A1NPC1RAB9A
SCHEMBL2320267 0.81 ALDH1A1 (0.58) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL23648679 0.81 SMN1; SMN2 (0.56) ADRA2CGAAMAPTKMT2AKDM4E
SCHEMBL3440130 0.81 CHKA (0.50) ALDH1A1ADRA2CMAPTKDM4EADRA2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885ADRA2C 478/4885GAA 4165/4885
US-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ALDH1A1 3369/4885ADRA2C 2847/4885GAA 2905/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885ADRA2C 70/4885GAA 3472/4885

“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.