SCHEMBL17819797

SCHEMBL17819797

CC1(C)OB(c2cccc3c2Oc2ccc(NC(=O)O)cc2C3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDGFRB P09619 4/20 0.32
KDR P35968 4/20 0.32
RAB9A P51151 6/20 0.32
NPC1 O15118 2/20 0.32
MAPK1 P28482 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 5/20 0.31
MEN1 O00255 4/20 0.31
ABCC4 O15439 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
SCHEMBL17820895 0.92 CYP1A2 (0.34) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL17820990 0.87 RAB9A (0.32) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL17827833 0.86 SIRT2 (0.40) CA1CA9
SCHEMBL17819968 0.85 CXCR2 (0.33) CYP1A2CA1CA2CA9RAB9A
SCHEMBL17820215 0.80 NPC1 (0.35) RAB9ANPC1LIPGKMT2AMEN1
SCHEMBL17827851 0.78 SIRT2 (0.38) CA1CA2CA9
SCHEMBL17827863 0.78 SIRT2 (0.40) CA1CA9KMT2AMEN1
SCHEMBL17819808 0.78 LIPG (0.32) LIPG
SCHEMBL17820763 0.78 BACE1 (0.36) ADRA2ARAB9ANPC1KDM4EKMT2A
SCHEMBL17820794 0.77 RAB9A (0.39) CYP1A2ADRA2AMAOASLC6A2HTR2C

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 CYP1A2 2094/4885ADRA2A 1955/4885MAOA 3482/4885

“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.