SCHEMBL17820967

SCHEMBL17820967

Cc1cnc(C(=O)COCCN(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL17820013 0.74 APLNR (0.38) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL17819647 0.71 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL17827990 0.70 APLNR (0.41) KDM4EALDH1A1TDP1
SCHEMBL17921624 0.70 APLNR (0.41) KDM4EALDH1A1TDP1
SCHEMBL279733 0.70 GRM5 (0.43) SMN1; SMN2RAB9A
SCHEMBL4886850 0.69 KMT2A (0.51) KDM4EALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL25974821 0.69 CHRNB2 (0.44) KDM4E
SCHEMBL15148333 0.68 APLNR (0.41) KDM4EALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL6494106 0.66 CHRM2 (0.46) KDM4EALDH1A1TDP1SMN1; SMN2BLM
SCHEMBL14450469 0.66 CES2 (0.48) KDM4EALDH1A1TDP1SMN1; SMN2CYP1A2

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 KDM4E 2666/4885ALDH1A1 2519/4885TDP1 3318/4885

“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.