SCHEMBL17827875

SCHEMBL17827875

Cc1ccc(C(C#N)O[Si](C)(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
S1PR3 Q99500 13/20 0.34
S1PR1 P21453 7/20 0.33
S1PR4 O95977 3/20 0.33
S1PR2 O95136 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7089384 0.75 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL12370392 0.74 CCR1 (0.43) CCR1CCR5CCR8HDAC6S1PR3
SCHEMBL29692311 0.74 CCR1 (0.43) CCR1CCR5CCR8HDAC6S1PR3
SCHEMBL14396440 0.72 NOS3 (0.42) CCR1CCR5CCR8HDAC6S1PR3
SCHEMBL11097043 0.71 ATM (0.43)
SCHEMBL16545967 0.70 HTT (0.37) CCR1CCR8HDAC6NOS3NOS2
SCHEMBL11041678 0.70 GAA (0.35) ALDH1A1GAA
SCHEMBL17321032 0.68 GAA (0.31) GAA
SCHEMBL25678496 0.67 CCR1 (0.43) CCR1CCR5CCR8HDAC6S1PR3
SCHEMBL11041825 0.67 GAA (0.44) ALDH1A1GAA

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 CCR1 666/4885CCR5 1465/4885CCR8 900/4885

“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.