SCHEMBL4131668

SCHEMBL4131668

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cccc(OCC(=O)N5CCCC5)c4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CPT1A P50416 6/20 0.42
CPT2 P23786 4/20 0.42
CPT1B Q92523 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
VDR P11473 4/20 0.41
NR1H4 Q96RI1 4/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ACHE P22303 1/20 0.39
PFKFB3 Q16875 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4118792 0.92 L3MBTL1 (0.48) L3MBTL1CPT1ACPT2CPT1BOPRM1
SCHEMBL13904453 0.91 L3MBTL1 (0.43) L3MBTL1CPT1ACPT2CPT1BOPRM1
SCHEMBL7056562 0.89 L3MBTL1 (0.50) L3MBTL1CPT1ACPT2CPT1BCYP2D6
SCHEMBL4118736 0.88 AVPR1B (0.47) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4124725 0.87 L3MBTL1 (0.48) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13904484 0.87 L3MBTL1 (0.42) L3MBTL1CPT1AVDRNR1H4
SCHEMBL4118996 0.86 L3MBTL1 (0.50) L3MBTL1
SCHEMBL4122864 0.86 L3MBTL1 (0.52) L3MBTL1VDRNR1H4PIK3CAMTOR
SCHEMBL5511460 0.85 L3MBTL1 (0.48) L3MBTL1CPT1ACPT2CPT1BCYP2D6
SCHEMBL4125294 0.83 L3MBTL1 (0.58) L3MBTL1VDRNR1H4

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 10 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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (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 L3MBTL1 1221/4885CPT1A 750/4885CPT2 1552/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885CPT1A 750/4885CPT2 1552/4885

“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.