SCHEMBL17820663

SCHEMBL17820663

CCCC(O)c1cncc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ SLC6A3 Q01959 4/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL16937839 0.86 CYP3A4 (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25262923 0.83 NFKB1 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19003651 0.83 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30527692 0.83 NFKB1 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL17827955 0.81 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9446727 0.81 CYP3A4 (0.47) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6448011 0.80 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DADRB2
SCHEMBL4205042 0.79 GGPS1 (0.34) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28483677 0.78 CYP3A4 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13779689 0.77 CYP11B1 (0.58) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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
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
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

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 CYP3A4 3441/4885CYP2D6 1367/4885SLC6A2 1466/4885

“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.

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