SCHEMBL17820559

SCHEMBL17820559

CC1(C)OB(c2cccc3c2Oc2ccc(CN(C(=O)O)c4cccnc4)cc2C3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ABCC4 O15439 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TBXAS1 P24557 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
CACNA2D1 P54289 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL17819847 0.82 TSHR (0.39) GAATSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL17819808 0.77 LIPG (0.32) LIPG
SCHEMBL17820260 0.75 BRD4 (0.41) GAAALDH1A1KDM4EF2F10
SCHEMBL17820763 0.74 BACE1 (0.36) SMN1; SMN2KDM4ELMNA
SCHEMBL17819797 0.72 CYP1A2 (0.34) TSHRALDH1A1SMN1; SMN2KDM4ELIPG
SCHEMBL17827843 0.68 MEN1 (0.40) GAATSHRALDH1A1KDM4ELMNA
SCHEMBL3060373 0.68 GAA (0.49) GAATSHRLMNALIPGCYP3A4
SCHEMBL1336782 0.66 GAA (0.60) GAATSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL17820895 0.66 CYP1A2 (0.34) TSHRALDH1A1KDM4ELIPGCYP3A4
SCHEMBL17827833 0.66 SIRT2 (0.40)

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 2 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-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 GAA 4389/4885TSHR 609/4885ALDH1A1 2519/4885

“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.