SCHEMBL17827882

SCHEMBL17827882

CCOC(CBr)(OCC)c1ccc(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6920776 0.77 KDM4E (0.39) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL17820653 0.77 APLNR (0.30)
SCHEMBL17827885 0.76 KDM4E (0.35) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL17827884 0.76 GRIN2B (0.35) KDM4E
SCHEMBL17827883 0.70 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL217684 0.67 CCR1 (0.43) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL17828092 0.67 CCR1 (0.43) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL146646 0.67 CCR1 (0.52) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL6920774 0.67 CCR1 (0.39) KDM4ECCR1CCR5CCR8HDAC6
SCHEMBL20708030 0.66 CCR1 (0.41) KDM4ECCR1CCR5CCR8HDAC6

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
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-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 KDM4E 2666/4885CCR1 666/4885CCR5 1465/4885

“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.