SCHEMBL17819964

SCHEMBL17819964

Nc1ccc2c(c1)CCc1cccc(Br)c1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
EGFR P00533 1/20 0.36
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
TP53 P04637 1/20 0.33
AKT1 P31749 1/20 0.32
HSD17B3 P37058 1/20 0.31
PTGER4 P35408 2/20 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
SCHEMBL16545950 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AEGFR
SCHEMBL17820428 0.78 MAPT (0.41) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL4232128 0.77 SMN1; SMN2 (0.58) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL17820007 0.74 TRPM8 (0.40) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL23447545 0.71 AHR (0.39) LMNAEGFRMAPT
SCHEMBL17819832 0.70 MAPT (0.51) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL17821009 0.70 NPC1 (0.38) SMN1; SMN2LMNANPC1RAB9AEGFR
SCHEMBL17820332 0.70 NPC1 (0.38) SMN1; SMN2LMNANPC1RAB9AEGFR
SCHEMBL11813909 0.69 MAOA (0.59) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL1854415 0.69 HSD17B10 (0.48) SMN1; SMN2LMNANPC1RAB9AMAPT

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 SMN1; SMN2 1734/4885LMNA 2540/4885NPC1 3926/4885

“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.