SCHEMBL1080595

SCHEMBL1080595

O=Cc1ncc(CN2CCOCC2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
HPGD P15428 3/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
CYP2A13 Q16696 1/20 0.36
TYMP P19971 1/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1078868 0.75 HPGD (0.42) CXCR4DRD2DRD4DRD3HPGD
SCHEMBL27811495 0.73 SMN1; SMN2 (0.45) CXCR4DRD2DRD4DRD3HPGD
SCHEMBL14333961 0.73 HPGD (0.43) CXCR4HPGDHRH3TYMPNPC1
SCHEMBL261373 0.72 HRH3 (0.42) CXCR4DRD2DRD4DRD3HPGD
SCHEMBL12615263 0.70 CXCR4 (0.49) CXCR4HPGDHRH3CYP2A13NPC1
SCHEMBL27344299 0.69 ERN1 (0.38) CXCR4HPGDHSD17B10ALDH1A1MEN1
SCHEMBL260371 0.69 ALDH3A1 (0.42) CXCR4DRD2DRD4DRD3HRH3
SCHEMBL20247029 0.68 HRH3 (0.52) CXCR4HRH3NPC1HSD17B10ALDH1A1
SCHEMBL28758738 0.67 HPGDS (0.37) DRD2DRD4DRD3HRH3ALDH1A1
SCHEMBL26986502 0.67 CXCR4 (0.53) CXCR4HPGDHRH3CYP2A13TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102098918-A Bioactive compounds for treatment of cancer and neurodegenerative diseases PONIARD PHARMACEUTICALS INC 2011-06-15 CN disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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 (1 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 CXCR4 2868/4885DRD2 4232/4885DRD4 3717/4885

“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.