SCHEMBL16838985

SCHEMBL16838985

CCOC(=O)CCNCc1cn(C(=O)OC(C)(C)C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
TOP2A P11388 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ACKR3 P25106 2/20 0.35
LTA4H P09960 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CTSK P43235 1/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23792059 0.78 L3MBTL1 (0.45) L3MBTL1TOP2ALTA4HKDM4EALDH1A1
SCHEMBL26240659 0.76 L3MBTL1 (0.71) L3MBTL1TOP2AALDH1A1POLBMAPT
SCHEMBL25836695 0.76 CA1 (0.45) L3MBTL1KDM4EALDH1A1
SCHEMBL26250498 0.75 MEN1 (0.44) L3MBTL1LTA4HKDM4EALDH1A1HPGD
SCHEMBL26240657 0.75 L3MBTL1 (0.43) L3MBTL1TOP2ALTA4HKDM4EALDH1A1
SCHEMBL23792266 0.73 L3MBTL1 (0.56) L3MBTL1TOP2ALTA4H
SCHEMBL31006016 0.72 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1POLB
SCHEMBL8954140 0.72 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1HPGDCTSK
SCHEMBL16838984 0.69 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2LTA4HALDH1A1HPGD
SCHEMBL753960 0.69 ALDH1A1 (0.46) L3MBTL1TOP2ALTA4HALDH1A1HPGD

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
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 L3MBTL1 3915/4885TOP2A 1761/4885SMN1; SMN2 2832/4885

“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.