SCHEMBL15190856

SCHEMBL15190856

O=C(O)N[C@H]1CC[C@H](N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.41
L3MBTL3 Q96JM7 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MBTD1 Q05BQ5 4/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3272638 1.00 SIGMAR1 (0.51) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL3272642 1.00 SIGMAR1 (0.51) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL4777482 0.98 SIGMAR1 (0.54) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL4777474 0.98 SIGMAR1 (0.54) SIGMAR1POLBHSD17B10HTTL3MBTL3
Oxalic Acid SCHEMBL4158692 0.96 SIGMAR1 (0.49) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL22191535 0.96 SIGMAR1 (0.48) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL22208127 0.88 POLB (0.46) SIGMAR1POLBHSD17B10HTTMEN1
SCHEMBL23573288 0.84 POLB (0.56) SIGMAR1POLBHSD17B10HTTCHRM5
SCHEMBL3369574 0.84 POLB (0.51) SIGMAR1POLBHSD17B10CHRM5CHRM1
SCHEMBL854180 0.83 PDE7A (0.46) SIGMAR1POLBHSD17B10L3MBTL3L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 SIGMAR1 3141/4885POLB 2238/4885HSD17B10 3462/4885

“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.