SCHEMBL17820514

SCHEMBL17820514

OCc1cncc(C2=CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CYP11B2 P19099 5/20 0.40
HTR1A P08908 2/20 0.40
CYP11B1 P15538 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ACMSD Q8TDX5 2/20 0.36
PSMB5 P28074 2/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 1/20 0.34
DYRK1A Q13627 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PIM1 P11309 1/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 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
SCHEMBL16135140 0.83 HTR1A (0.41) CYP11B2HTR1APDGFRBPDGFRAACMSD
SCHEMBL16366757 0.81 HTR1A (0.40) CYP11B2HTR1APDGFRBPDGFRAACMSD
SCHEMBL16133341 0.80 HTR1A (0.39) HTR1APDGFRBPDGFRAACMSDPSMB5
SCHEMBL30302079 0.75 CHRNB4 (0.50) HTR1AACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL5383499 0.75 CHRNB4 (0.50) HTR1AACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL13778365 0.74 PSMB5 (0.48) CYP2A6CYP11B2HTR1ACYP11B1PDGFRB
SCHEMBL3728063 0.74 PDGFRB (0.41) CYP2A6CYP11B2HTR1ACYP11B1PDGFRB
SCHEMBL32661133 0.71 PSMB5 (0.38) CYP11B2HTR1ACYP11B1PDGFRBPDGFRA
SCHEMBL11862219 0.71 ACMSD (0.47) ACMSDPSMB5CHRNB4CHRNA3CHRNA7
SCHEMBL32661309 0.70 PSMB5 (0.38) CYP11B2HTR1ACYP11B1ACMSDPSMB5

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 CYP2A6 2190/4885CYP11B2 1570/4885HTR1A 2691/4885

“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.