SCHEMBL17819847

SCHEMBL17819847

O=C(O)N(Cc1ccc2c(c1)Cc1cccc(Br)c1O2)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.39
ABCC4 O15439 1/20 0.35
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
PKM P14618 1/20 0.33
TBXAS1 P24557 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL17820559 0.82 GAA (0.34) TSHRGAAABCC4PTGS1ALDH1A1
SCHEMBL17820071 0.74 MAOA (0.34)
SCHEMBL1336782 0.71 GAA (0.60) TSHRGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL17820385 0.71 GPR132 (0.42) TSHRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL28807373 0.69 GAA (0.70) TSHRGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL17820794 0.67 RAB9A (0.39) TSHRABCC4PTGS1ALDH1A1SMN1; SMN2
SCHEMBL23447545 0.66 AHR (0.39) ABCC4PTGS1LMNA
SCHEMBL16545945 0.64 MAOA (0.36) ABCC4PTGS1
SCHEMBL23447980 0.64 MAOA (0.36) ABCC4PTGS1
SCHEMBL16545950 0.64 SMN1; SMN2 (0.46) GAAABCC4PTGS1ALDH1A1SMN1; SMN2

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
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
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

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 TSHR 609/4885GAA 4389/4885ABCC4 2884/4885

“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.