SCHEMBL17828181

SCHEMBL17828181

COc1ccc(CCN2CCC(C)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.57
ACHE P22303 1/20 0.54
KDM4E B2RXH2 2/20 0.47
SIGMAR1 Q99720 3/20 0.45
TRPV6 Q9H1D0 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL14375256 0.86 TRPV6 (0.58) HRH3ACHETRPV6ALDH1A1
SCHEMBL23589171 0.81 TRPV6 (0.53) HRH3ACHETRPV6
SCHEMBL12023880 0.78 SIGMAR1 (0.75) HRH3ACHESIGMAR1
SCHEMBL5871632 0.77 SCD (0.43) TRPV6
SCHEMBL4160649 0.76 TRPV6 (0.60) HRH3SIGMAR1TRPV6
SCHEMBL17828192 0.75 HRH3 (0.71) HRH3ACHESIGMAR1
Bromide SCHEMBL4169169 0.75 TRPV6 (0.58) HRH3SIGMAR1TRPV6
SCHEMBL23178679 0.73 TRPV6 (0.57) HRH3TRPV6
SCHEMBL23711032 0.72 HRH3 (0.77) HRH3ACHESIGMAR1
SCHEMBL12767180 0.72 TRPV6 (0.56) HRH3TRPV6

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 HRH3 232/4885ACHE 1829/4885KDM4E 2666/4885

“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.