SCHEMBL21138046

SCHEMBL21138046

CC(C)(O)c1ccc2nccc(C3CCNCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.41
TDO2 P48775 5/20 0.41
CYP2C9 P11712 4/20 0.39
CYP2C8 P10632 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR6 P50406 4/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CHRNA1 P02708 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL21061129 0.91 IDO1 (0.44) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21061130 0.80 IDO1 (0.43) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21138139 0.77 IDO1 (0.52) IDO1TDO2CYP2C9CYP2C8HTR6
SCHEMBL7964040 0.77 IDO1 (0.56) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21061181 0.76 IDO1 (0.50) IDO1TDO2CYP2C9CYP2C8
SCHEMBL21138142 0.75 IDO1 (0.52) IDO1TDO2CYP2C19CYP1A2HTR6
SCHEMBL22648495 0.74 JAK2 (0.45) IDO1TDO2CYP2C9CYP2C8CYP2C19
Hydrochloric Acid SCHEMBL22635760 0.74 IDO1 (0.51) IDO1TDO2CYP2C19CYP1A2HTR6
Hydrochloric Acid SCHEMBL22635786 0.73 JAK2 (0.44) IDO1TDO2CYP2C9CYP2C8CYP2C19
SCHEMBL900393 0.73 ADRB2 (0.50) HTR6HTR1ACHRNB2CHRNA4

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 7/4885CYP2C9 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.