SCHEMBL14907970

SCHEMBL14907970

COc1cccc(C#CC(=O)NCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
DRD2 P14416 4/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
MAOB P27338 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
DYRK1A Q13627 1/20 0.42
BRD4 O60885 2/20 0.41
VCP P55072 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14907950 0.82 MTNR1A (0.51) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL16141543 0.81 CTSS (0.46) CA1CA2GFER
SCHEMBL10126690 0.80 MTNR1A (0.60) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL27941337 0.78 MTNR1A (0.44) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL16139309 0.78 CCNC (0.47) CA12CA1CA2CA9MAOB
SCHEMBL4175962 0.78 FFAR1 (0.56) MTNR1AMTNR1BMAOBFFAR1KDM4E
SCHEMBL3569604 0.78 MAPT (0.48) DRD2CA1CA2GFERHSD17B10
SCHEMBL16139306 0.77 PTPN11 (0.45) DRD2CA12CA1CA2CA9
SCHEMBL14907939 0.77 DRD2 (0.50) DRD2CA12CA1CA2CA9
SCHEMBL18767255 0.77 GFER (0.44) MTNR1AMTNR1BDRD2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B MTNR1A 1326/4885MTNR1B 691/4885DRD2 700/4885

“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.