SCHEMBL17820959

SCHEMBL17820959

CCN(CC)CC(=O)c1ncc(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
HPGD P15428 3/20 0.39
APLNR P35414 2/20 0.37
LMNA P02545 3/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
MC4R P32245 1/20 0.37
SCN4A P35499 1/20 0.37
MC3R P41968 1/20 0.37
HTR3A P46098 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN3A Q9NY46 1/20 0.37
GAA P10253 2/20 0.36
BLM P54132 1/20 0.36
RAB9A P51151 2/20 0.33
TSHR P16473 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
SCHEMBL15148333 0.78 APLNR (0.41) ALDH1A1MAPTKDM4EAPLNRCYP3A4
SCHEMBL17820013 0.69 APLNR (0.38) ALDH1A1MAPTKDM4EHPGDAPLNR
SCHEMBL12457581 0.67 CYP1A2 (0.46) ALDH1A1KDM4EHPGDLMNACYP3A4
SCHEMBL21780801 0.67 TP53 (0.47) ALDH1A1HPGDAPLNRTDP1
SCHEMBL18622319 0.67 APLNR (0.36) ALDH1A1MAPTHPGDAPLNRLMNA
SCHEMBL9305582 0.67 HPGD (0.54) ALDH1A1MAPTKDM4EAGTR1HPGD
SCHEMBL882970 0.66 APLNR (0.50) ALDH1A1MAPTKDM4EAPLNRRAB9A
SCHEMBL9852803 0.66 APLNR (0.45) ALDH1A1MAPTKDM4EHPGDAPLNR
SCHEMBL15780518 0.66 APLNR (0.41) ALDH1A1MAPTKDM4EHPGDAPLNR
SCHEMBL17820967 0.65 KDM4E (0.39) ALDH1A1KDM4ECYP3A4MAPK1GAA

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 ALDH1A1 2519/4885MAPT 3669/4885KDM4E 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.