SCHEMBL17820666

SCHEMBL17820666

Oc1ccc2c(c1)Cc1cccc(Br)c1O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.36
DRD2 P14416 9/20 0.36
DRD1 P21728 9/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD5 P21918 7/20 0.36
DRD3 P35462 7/20 0.36
DRD4 P21917 6/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.33
ABCC4 O15439 1/20 0.33
PTGS1 P23219 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
SCHEMBL23447545 0.84 AHR (0.39) HTR2AMAOAMAOBMAPTABCC4
SCHEMBL16545945 0.81 MAOA (0.36) MAOAMAOBABCC4PTGS1
SCHEMBL16545950 0.81 SMN1; SMN2 (0.46) MAPKAPK2MAOAMAOBALDH1A1MAPT
SCHEMBL23447980 0.81 MAOA (0.36) MAOAMAOBABCC4PTGS1
SCHEMBL17820513 0.81 PDCD1 (0.37) MAOAMAOBABCC4PTGS1
SCHEMBL11813909 0.80 MAOA (0.59) MAPKAPK2MAOAMAOBRAB9ACYP3A4
SCHEMBL17820071 0.79 MAOA (0.34) MAOAMAOB
SCHEMBL11249957 0.77 MAOA (0.41) HTR2AMAOAMAOBALDH1A1MAPT
SCHEMBL3274826 0.77 MAPKAPK2 (0.51) MAPKAPK2PTGS2DRD2DRD1MAOA
SCHEMBL17820794 0.76 RAB9A (0.39) MAOAALDH1A1MAPTRAB9ACYP3A4

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 8 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
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
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
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 MAPKAPK2 541/4885HTR2A 3577/4885PTGS2 4718/4885

“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.