SCHEMBL21138409

SCHEMBL21138409

FC(F)c1ccc2c(c1)OCC21CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
S1PR5 Q9H228 12/20 0.48
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 2/20 0.46
SIGMAR1 Q99720 7/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL325502 0.82 SIGMAR1 (0.58) S1PR5S1PR1S1PR3SIGMAR1TP53
SCHEMBL10265035 0.82 S1PR5 (0.50) S1PR5S1PR1S1PR3SIGMAR1TP53
SCHEMBL325591 0.82 S1PR5 (0.50) S1PR5S1PR1S1PR3SIGMAR1TP53
SCHEMBL18657304 0.82 SIGMAR1 (0.60) S1PR5S1PR1S1PR3SIGMAR1TP53
SCHEMBL1587952 0.81 SIGMAR1 (0.57) S1PR5SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL21138410 0.81 S1PR5 (0.52) S1PR5S1PR1S1PR3SIGMAR1TP53
SCHEMBL15144639 0.80 SIGMAR1 (0.60) S1PR5S1PR1S1PR3SIGMAR1
SCHEMBL21138412 0.79 S1PR5 (0.52) S1PR5S1PR1S1PR3SIGMAR1TP53
Hydrochloric Acid SCHEMBL325492 0.79 SIGMAR1 (0.60) S1PR5S1PR1S1PR3SIGMAR1
SCHEMBL10264811 0.78 S1PR5 (0.74) S1PR5S1PR1S1PR3

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 7/4885S1PR5 2753/4885

“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.