SCHEMBL14907950

SCHEMBL14907950

COc1cccc(C#CC(=O)NCCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
VCP P55072 1/20 0.47
MAOB P27338 1/20 0.47
FFAR1 O14842 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
PYGL P06737 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP3 Q96P20 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL4175962 0.82 FFAR1 (0.56) MTNR1AMTNR1BMAOBFFAR1MEN1
SCHEMBL14907970 0.82 MTNR1A (0.47) MTNR1AMTNR1BVCPMAOBFFAR1
SCHEMBL4188321 0.81 FFAR1 (0.54) MTNR1AMTNR1BFFAR1POLBRAB9A
SCHEMBL4169130 0.81 MTNR1A (0.55) MTNR1AMTNR1BMAOBMEN1NPC1
SCHEMBL4182409 0.80 HTT (0.60) MTNR1AMTNR1BFFAR1CA1CA2
SCHEMBL4174489 0.80 TDP1 (0.60) MTNR1AMTNR1BVCPFFAR1POLB
SCHEMBL4178456 0.79 MEN1 (0.61) MTNR1AMTNR1BCA1CA2MEN1
SCHEMBL4171596 0.78 MAPT (0.56) MTNR1AMTNR1BMAOBMEN1NPC1
SCHEMBL4181745 0.78 MTNR1A (0.50) MTNR1AMTNR1BVCPMAOBFFAR1
SCHEMBL21449677 0.78 RAB9A (0.57) MTNR1AMTNR1BVCPFFAR1CA1

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 691/4885VCP 4187/4885

“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.