SCHEMBL21138086

SCHEMBL21138086

Fc1cc2c(cc1C(F)(F)F)OCC21CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HTR2C P28335 2/20 0.31

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
SCHEMBL3742006 0.85 S1PR5 (0.34) IDO1TDO2HTR2C
SCHEMBL320608 0.79 S1PR5 (0.32)
Hydrochloric Acid SCHEMBL22635733 0.74 IDO1 (0.47) IDO1TDO2HTR2C
SCHEMBL21138094 0.73 ALDH1A1 (0.44) IDO1TDO2HTR2C
SCHEMBL14530298 0.73 HTR2C (0.46) HTR2C
SCHEMBL3742950 0.73 HTR2C (0.46) HTR2C
Hydrochloric Acid SCHEMBL2800247 0.72 HTR2C (0.44) HTR2C
Hydrochloric Acid SCHEMBL2803816 0.72 HTR2C (0.44) HTR2C
SCHEMBL21138067 0.71 IDO1 (0.47) IDO1TDO2
SCHEMBL321040 0.71 S1PR5 (0.40)

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 7/4885HTR2C 672/4885

“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.