SCHEMBL21138418

SCHEMBL21138418

FC(F)(F)c1ccc2c(c1)OCC21CCCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.54
TDO2 P48775 9/20 0.54
TACR1 P25103 2/20 0.46
SLC6A4 P31645 2/20 0.46
SIGMAR1 Q99720 5/20 0.46
GAA P10253 2/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR5 Q9H228 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL3229223 0.89 IDO1 (0.53) IDO1TDO2GAACYP2C9POLB
SCHEMBL3216524 0.81 GAA (0.45) IDO1TDO2TACR1SLC6A4SIGMAR1
SCHEMBL21138417 0.81 IDO1 (0.52) IDO1TDO2CYP2C9S1PR5CYP3A4
SCHEMBL18657304 0.78 SIGMAR1 (0.60) SIGMAR1CYP2C9POLBALDH1A1S1PR5
SCHEMBL325502 0.78 SIGMAR1 (0.58) SIGMAR1CYP2C9ALDH1A1S1PR5TP53
SCHEMBL10265035 0.78 S1PR5 (0.50) SIGMAR1CYP2C9ALDH1A1S1PR5TP53
SCHEMBL325591 0.78 S1PR5 (0.50) SIGMAR1CYP2C9ALDH1A1S1PR5TP53
SCHEMBL21138094 0.78 ALDH1A1 (0.44) IDO1TDO2SIGMAR1GAACYP2C9
SCHEMBL21138409 0.78 IDO1 (0.51) IDO1TDO2SIGMAR1CYP2C9ALDH1A1
SCHEMBL1587952 0.78 SIGMAR1 (0.57) SIGMAR1CYP2C9ALDH1A1S1PR5TP53

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 7/4885TACR1 3555/4885

“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.