SCHEMBL21138048

SCHEMBL21138048

O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.82
TDO2 P48775 15/20 0.82
CYP2C8 P10632 2/20 0.70
CYP2C9 P11712 1/20 0.70
RAB9A P51151 1/20 0.54
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21138014 0.90 IDO1 (1.00) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138420 0.86 IDO1 (0.89) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138832 0.86 IDO1 (0.79) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138049 0.86 IDO1 (0.79) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138831 0.84 IDO1 (0.77) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138834 0.84 IDO1 (0.79) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138423 0.83 IDO1 (0.82) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21137992 0.83 IDO1 (1.00) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138429 0.82 IDO1 (0.79) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138833 0.82 IDO1 (0.81) IDO1TDO2CYP2C8CYP2C9

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 2 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
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 7/4885CYP2C8 750/4885

“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.