SCHEMBL17097142

SCHEMBL17097142

CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4c[nH]c5cc(F)ccc45)cc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.45
BACE2 Q9Y5Z0 3/20 0.45
CHEK2 O96017 3/20 0.44
TDO2 P48775 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HPGDS O60760 1/20 0.42
BRD3 Q15059 1/20 0.41

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
SCHEMBL17102175 0.87 TDO2 (0.48) TDO2
SCHEMBL17097153 0.84 TDO2 (0.43) BACE1BACE2TDO2SMN1; SMN2BRD3
SCHEMBL17096981 0.81 TDO2 (0.43) BACE1BACE2TDO2
SCHEMBL17097062 0.81 TDO2 (0.60) TDO2
SCHEMBL1299150 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HPGDSBRD3
SCHEMBL17097192 0.80 HTR6 (0.44) BACE1BACE2CHEK2SMN1; SMN2HPGDS
SCHEMBL17621788 0.80 TDO2 (0.43) TDO2
SCHEMBL17096724 0.79 TGFBR1 (0.42) BACE1BACE2CHEK2TDO2BRD3
SCHEMBL17114387 0.79 TDO2 (0.45) TDO2SMN1; SMN2BRD3
SCHEMBL1519112 0.79 AAK1 (0.53) CHEK2HPGDS

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
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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 (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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 BACE1 292/4885BACE2 411/4885CHEK2 2654/4885

“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.