SCHEMBL17828173

SCHEMBL17828173

COc1cc(OC)nc(CN2CCC(C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
HTR7 P34969 4/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PDE2A O00408 1/20 0.40

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
SCHEMBL2202680 0.79 KDM4E (0.38) TLR9TLR8TLR7ALDH1A1PDE2A
SCHEMBL3954742 0.78 CHRM2 (0.45) HRH3KMT2ATLR9TLR8TLR7
SCHEMBL17828176 0.75 ALDH1A1 (0.41) ACHEHTR7HRH3ALDH1A1
SCHEMBL15214346 0.74 HTR7 (0.52) ACHEHTR7HRH3ALDH1A1
SCHEMBL14375256 0.72 TRPV6 (0.58) ACHEHTR7HRH3TLR9TLR8
SCHEMBL17828162 0.72 ACHE (0.55) ACHEHRH3KMT2AALDH1A1
SCHEMBL29632608 0.71 ACHE (0.54) ACHEHTR7HRH3KMT2AALDH1A1
SCHEMBL26844932 0.69 ALDH1A1 (0.51) ACHEHRH3KMT2AALDH1A1
SCHEMBL17828161 0.69 KDM4E (0.50) ACHEHTR7HRH3
SCHEMBL17828169 0.69 CCR5 (0.52) ACHEHTR7HRH3TLR9TLR8

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 5 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
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

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 ACHE 1829/4885HTR7 425/4885HRH3 232/4885

“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.