SCHEMBL21138034

SCHEMBL21138034

O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 1.00
TDO2 P48775 16/20 1.00
CYP2C9 P11712 1/20 0.67
CYP3A4 P08684 1/20 0.63
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL22635723 0.96 IDO1 (1.00) IDO1TDO2CYP2C9CYP3A4ALDH1A1
SCHEMBL21138033 0.87 IDO1 (1.00) IDO1TDO2CYP2C9CYP3A4ALDH1A1
SCHEMBL21138036 0.85 IDO1 (0.74) IDO1TDO2CYP2C9CYP3A4
SCHEMBL21138029 0.85 IDO1 (1.00) IDO1TDO2CYP2C9CYP3A4
SCHEMBL21138038 0.83 IDO1 (0.70) IDO1TDO2CYP2C9CYP3A4
SCHEMBL22648325 0.82 IDO1 (0.76) IDO1TDO2CYP2C9CYP3A4RAB9A
SCHEMBL21138148 0.80 IDO1 (0.66) IDO1TDO2CYP2C9CYP3A4ALDH1A1
SCHEMBL21061068 0.79 IDO1 (0.66) IDO1TDO2CYP2C9CYP3A4ALDH1A1
SCHEMBL22648520 0.79 IDO1 (0.65) IDO1TDO2CYP2C9CYP3A4ALDH1A1
SCHEMBL23271202 0.77 IDO1 (1.00) IDO1TDO2CYP2C9CYP3A4

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.