SCHEMBL21138417

SCHEMBL21138417

O=C1CCC2(CCN1Cc1ccccc1)COc1cc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.52
TDO2 P48775 14/20 0.52
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
S1PR5 Q9H228 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 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
SCHEMBL21138418 0.81 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4S1PR5
SCHEMBL3229223 0.80 IDO1 (0.53) IDO1TDO2CYP2C9CYP3A4S1PR5
SCHEMBL21138413 0.77 IDO1 (0.50) IDO1TDO2CYP2C9CYP3A4
SCHEMBL3216524 0.72 GAA (0.45) IDO1TDO2CYP2C9CYP3A4
SCHEMBL21138838 0.71 IDO1 (0.61) IDO1TDO2CYP2C9CYP3A4S1PR5
SCHEMBL22635778 0.71 IDO1 (0.45) IDO1TDO2CYP2C9CYP3A4
SCHEMBL21430773 0.70 IDO1 (0.52) IDO1TDO2CYP2C9CYP3A4
SCHEMBL21138415 0.69 IDO1 (0.47) IDO1TDO2CYP2C9CYP3A4S1PR5
SCHEMBL21061068 0.68 IDO1 (0.66) IDO1TDO2CYP2C9CYP3A4S1PR5
SCHEMBL21408574 0.68 IDO1 (0.52) IDO1TDO2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 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 (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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 7/4885CYP2C9 1667/4885

“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.