SCHEMBL16839014

SCHEMBL16839014

CCOC(=O)C1(CNCc2ccc(-c3ccc(OC)nc3)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 2/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.39
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CTSC P53634 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
PPID Q08752 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL16839638 0.82 SMN1; SMN2 (0.47) KMT2AMEN1PKMNPC1LMNA
SCHEMBL16839740 0.80 SMN1; SMN2 (0.47) KMT2AMEN1PKMNPC1LMNA
SCHEMBL16839666 0.80 TUBB4A (0.43) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL16839824 0.79 SMN1; SMN2 (0.46) KMT2AMEN1PKMNPC1LMNA
SCHEMBL16839641 0.79 SMN1; SMN2 (0.46) KMT2AMEN1PKMNPC1LMNA
SCHEMBL16839823 0.79 OPRM1 (0.43) KMT2ANPC1
SCHEMBL16839629 0.78 CYP2D6 (0.46) KMT2AHDAC1ALDH1A1
SCHEMBL16839861 0.78 SMN1; SMN2 (0.49) KMT2AMEN1PKMNPC1LMNA
SCHEMBL16839871 0.77 TUBB4A (0.43) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL16839635 0.76 CYP2D6 (0.45) KMT2AHDAC1ALDH1A1

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 MKNK1 2981/4885MKNK2 1682/4885KMT2A 64/4885

“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.