SCHEMBL17820460

SCHEMBL17820460

COC(C)(C)c1cncc(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
APP P05067 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
CYP2A6 P11509 1/20 0.31
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PRKACA P17612 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
NTRK3 Q16288 1/20 0.30
PKN2 Q16513 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
STK17A Q9UEE5 1/20 0.30

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
SCHEMBL3512146 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4712260 0.80
SCHEMBL10175092 0.78 CYP11B2 (0.38) CYP11B2CYP19A1CYP11B1
SCHEMBL3512242 0.78 APP (0.33) APPALDH1A1
SCHEMBL3511588 0.78 APP (0.33) APPALDH1A1
SCHEMBL30591958 0.73 APP (0.40) CYP11B2CYP11B1APPALDH1A1
SCHEMBL434088 0.73 APP (0.40) CYP11B2CYP11B1APPALDH1A1
SCHEMBL9173511 0.72 ALDH1A1 (0.52) ALDH1A1TSHRCYP2A6
SCHEMBL429736 0.72 CYP11B2 (0.41) CYP11B2CYP19A1CYP11B1
SCHEMBL748434 0.72 CYP1A2 (0.36) CYP11B2CYP19A1CYP11B1CYP2A6

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 CYP11B2 1570/4885CYP19A1 3821/4885CYP11B1 1613/4885

“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.