SCHEMBL17828144

SCHEMBL17828144

CCc1cncc(NC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 2/20 0.38
▸ FDPS P14324 1/20 0.38
▸ HTR7 P34969 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.34
▸ ELANE P08246 2/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ AOC1 P19801 2/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CSNK2A1 P68400 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
SCHEMBL17819849 0.83 FDPS (0.40) FDPSHTR7TDP1AOC1AOC3
SCHEMBL17831361 0.78 ALDH1A1 (0.46) GPR55FDPSSMYD3CHRNB2CHRNA4
SCHEMBL11418865 0.77 TDP1 (0.41) TDP1ELANEALDH1A1
SCHEMBL27669017 0.74 GPR55 (0.33) GPR55FDPS
SCHEMBL5750833 0.74 GPR55 (0.33) GPR55FDPS
SCHEMBL12314762 0.74 TSHR (0.44) TDP1SMYD3ALDH1A1
SCHEMBL18948385 0.74 BRD4 (0.38) SMYD3CHRNB2CHRNA4
SCHEMBL18477982 0.74 TDP1 (0.38) GPR55HTR7TDP1ALDH1A1
SCHEMBL240843 0.73 SMYD3 (0.39) SMYD3CHRNB2CHRNA4ALDH1A1NPSR1
SCHEMBL22607264 0.72 KCNH2 (0.39) HTR7TDP1ELANEAOC1AOC3

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 5 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
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

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 GPR55 2922/4885FDPS 4879/4885HTR7 425/4885

“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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