SCHEMBL17828192

SCHEMBL17828192

COCc1ccc(CCN2CCC(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.71
ACHE P22303 1/20 0.66
SIGMAR1 Q99720 3/20 0.52
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR4 Q13639 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL17921687 0.86 HRH3 (0.51) HRH3ACHESIGMAR1HTR2AKCNH2
SCHEMBL12023880 0.84 SIGMAR1 (0.75) HRH3ACHESIGMAR1
SCHEMBL13001961 0.83 HRH3 (0.75) HRH3ACHESIGMAR1SPHK1
SCHEMBL23711032 0.81 HRH3 (0.77) HRH3ACHESIGMAR1SPHK1
SCHEMBL17828190 0.80 HRH3 (0.75) HRH3ACHESIGMAR1HTR2ASPHK1
SCHEMBL17828185 0.80 HRH3 (0.75) HRH3ACHESIGMAR1
SCHEMBL6419877 0.80 HRH3 (0.75) HRH3ACHESIGMAR1SPHK1
SCHEMBL14708456 0.80 HRH3 (0.75) HRH3ACHESIGMAR1HTR2AKCNH2
SCHEMBL152736 0.80 ACHE (1.00) HRH3ACHESIGMAR1HTR2AKCNH2
SCHEMBL23105175 0.77 HRH3 (0.71) HRH3ACHESIGMAR1SPHK1

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 HRH3 232/4885ACHE 1829/4885SIGMAR1 427/4885

“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.