SCHEMBL17820696

SCHEMBL17820696

CC(=O)c1cccc(CN2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
FAAH O00519 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.40
GNE Q9Y223 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL17819773 0.98 ALDH1A1 (0.48) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26970981 0.88 KDM4E (0.46) CXCR4ALDH1A1KDM4EFAAHGNE
SCHEMBL26849946 0.87 CXCR4 (0.57) CXCR4KDM4EHSD17B10KMT2AFAAH
SCHEMBL465886 0.86 GNE (0.55) CXCR4ALDH1A1KDM4EHPGDHSD17B10
Acetic Acid SCHEMBL28007984 0.85 CXCR4 (0.54) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1252421 0.84 GNE (0.54) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1118921 0.84 KDM4E (0.49) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL465875 0.84 BCHE (0.53) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23219632 0.81 GNE (0.50) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31186159 0.81 BCHE (0.53) CXCR4ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CXCR4 869/4885ALDH1A1 2519/4885KDM4E 2666/4885

“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.