SCHEMBL4125847

SCHEMBL4125847

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 8/20 0.47
OPRM1 P35372 7/20 0.47
OPRK1 P41145 7/20 0.47
OPRD1 P41143 5/20 0.47
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
BMPR2 Q13873 1/20 0.42
BCAT2 O15382 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13920639 1.00 OGFRL1 (0.47) OGFRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL13920651 0.92 CYP3A4 (0.43) OGFRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL4125496 0.92 CYP3A4 (0.43) OGFRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL13920641 0.90 BMPR2 (0.41) OGFRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL4132091 0.90 BMPR2 (0.41) OGFRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL4125294 0.86 L3MBTL1 (0.58) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4117358 0.85 L3MBTL1 (0.46) OGFRL1OPRM1CYP3A4L3MBTL1BMPR2
SCHEMBL4134446 0.85 BMPR2 (0.44) CYP3A4L3MBTL1BMPR2BCAT2HDAC6
SCHEMBL4117565 0.85 L3MBTL1 (0.45) CYP3A4L3MBTL1BMPR2BCAT2HDAC6
SCHEMBL4122761 0.85 L3MBTL1 (0.57) L3MBTL1BCAT2HDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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 2806/4885OPRK1 3115/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 OGFRL1 4655/4885OPRM1 2806/4885OPRK1 3115/4885

“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.