SCHEMBL1429005

SCHEMBL1429005

COc1ccc2c(c1)c(C=O)c(C1CCCCC1)n2CCO

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
PLA2G2A P14555 3/20 0.43
PTGER4 P35408 1/20 0.43
MTNR1A P48039 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL1429118 0.99 PTGER4 (0.44) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL1429158 0.98 PTGER4 (0.44) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL1429817 0.94 PLA2G2A (0.46) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL4334813 0.88 PTGER4 (0.54) CNR2PLA2G2APTGER4KDM4EHSD17B10
SCHEMBL1429889 0.84 PLA2G2A (0.47) CNR2PLA2G2APTGER4KDM4EHSD17B10
SCHEMBL1429633 0.83 NPC1 (0.46) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL1428924 0.82 PLA2G2A (0.45) CNR2PLA2G2APTGER4KDM4EHSD17B10
SCHEMBL1428930 0.82 NPC1 (0.47) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL1428931 0.82 NPC1 (0.47) CNR2PLA2G2APTGER4MTNR1AKDM4E
SCHEMBL1430049 0.81 HTR6 (0.40) CNR2PLA2G2APTGER4

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
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 CNR2 829/4885PLA2G2A 3780/4885PTGER4 3329/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR CNR2 876/4885PLA2G2A 3227/4885PTGER4 2716/4885

“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.