SCHEMBL17828137

SCHEMBL17828137

CCc1cncc(-n2cncn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRS3 P32247 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
CYP11B2 P19099 1/20 0.32
CYP3A4 P08684 1/20 0.32
FBP1 P09467 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL17781352 0.83 CYP2A6 (0.46) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL17781409 0.83 CYP2A6 (0.46) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL17787628 0.81 CYP2A6 (0.45) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL10276671 0.78 CYP2A6 (0.49) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL28538768 0.78 CYP2A6 (0.49) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL19984481 0.77 MAPT (0.36) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL12838891 0.77 CYP2C9 (0.41) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL179126 0.77 CYP1A2 (0.58) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL17828133 0.75 KDM4E (0.44) KDM4EALDH1A1BRS3MAPT
SCHEMBL14117182 0.73 CYP1A2 (0.38) CYP2A6CYP1A2CYP2C9CYP2C19CYP2D6

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 4 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
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 CYP2A6 2190/4885CYP1A2 2094/4885CYP2C9 4239/4885

“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.