SCHEMBL17827874

SCHEMBL17827874

Cc1cccc(C(O)CCN(C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PDK2 Q15119 1/20 0.35
GRM5 P41594 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
PAX8 Q06710 1/20 0.32
ADRB1 P08588 1/20 0.32
P2RX7 Q99572 1/20 0.32
CCNE2 O96020 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
SCHEMBL17819873 0.83 HTT (0.39) GBA1HTTRECQLCYP2C19ADRB1
SCHEMBL6050417 0.78 RIPK1 (0.51) GBA1PDK2GPR88HTR2CSLC6A4
SCHEMBL6050532 0.78 RIPK1 (0.51) GBA1PDK2GPR88HTR2CSLC6A4
SCHEMBL525671 0.78 RIPK1 (0.51) GBA1PDK2GPR88HTR2CSLC6A4
SCHEMBL17827873 0.76 P2RX7 (0.41) GBA1PDK2GRM5IRAK4HTR2C
SCHEMBL18551012 0.75 HIF1A (0.43) PDK2GPR88ADRB1
SCHEMBL8293584 0.74 PCSK9 (0.42) ADRB1P2RX7AAK1
SCHEMBL499535 0.74 RIPK1 (0.38) CYP2C19SLC6A4ADRB1
SCHEMBL6050462 0.74 MEN1 (0.40) PDK2GPR88SLC6A4
SCHEMBL20309012 0.73 GBA1 (0.45) GBA1PDK2GPR88HTR2CSLC6A4

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 GBA1 2234/4885HTT 3547/4885RECQL 381/4885

“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.