SCHEMBL4124761

SCHEMBL4124761

O=C(O)C1CCCN1C(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.39
BCAT2 O15382 1/20 0.39
GYS1 P13807 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PADI4 Q9UM07 2/20 0.37
PTGER4 P35408 1/20 0.36
BMPR2 Q13873 1/20 0.36
PDE10A Q9Y233 2/20 0.36
CA2 P00918 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
SCHEMBL13920643 1.00 OGFRL1 (0.45) OGFRL1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL4125294 0.86 L3MBTL1 (0.58) L3MBTL1HDAC1HDAC8HDAC6BCAT2
SCHEMBL4122761 0.85 L3MBTL1 (0.57) L3MBTL1HDAC1HDAC8HDAC6BCAT2
SCHEMBL4131131 0.85 HPGD (0.49) L3MBTL1HPGDPTGER4
SCHEMBL4124809 0.82 L3MBTL1 (0.52) L3MBTL1HDAC1HDAC8HDAC6PTGER4
SCHEMBL4118996 0.81 L3MBTL1 (0.50) L3MBTL1HPGD
SCHEMBL4120008 0.80 L3MBTL1 (0.59) L3MBTL1HDAC1HDAC8HDAC6BCAT2
SCHEMBL13904512 0.80 L3MBTL1 (0.54) L3MBTL1HDAC1HDAC8HDAC6BCAT2
SCHEMBL4117358 0.80 L3MBTL1 (0.46) OGFRL1OPRM1L3MBTL1HDAC1HDAC8
SCHEMBL4130712 0.80 L3MBTL1 (0.56) L3MBTL1HDAC1HDAC8HDAC6PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 OGFRL1 4655/4885OPRM1 2806/4885OPRD1 2664/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 OGFRL1 4655/4885OPRM1 2806/4885OPRD1 2664/4885

“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.