SCHEMBL21138413

SCHEMBL21138413

O=C1CCC2(CC1)COc1cc(C(F)(F)F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.50
TDO2 P48775 14/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.45
DAO P14920 1/20 0.38
HSD11B1 P28845 1/20 0.38
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL22635778 0.84 IDO1 (0.45) IDO1TDO2CYP3A4CYP2C9DAO
SCHEMBL21430773 0.84 IDO1 (0.52) IDO1TDO2CYP3A4CYP2C9
SCHEMBL21138415 0.82 IDO1 (0.47) IDO1TDO2CYP3A4CYP2C9DAO
Hydrochloric Acid SCHEMBL22635733 0.80 IDO1 (0.47) IDO1TDO2CYP3A4CYP2C9DAO
SCHEMBL21138416 0.79 IDO1 (0.47) IDO1TDO2CYP3A4CYP2C9DAO
SCHEMBL23271211 0.77 IDO1 (0.50) IDO1TDO2CYP3A4CYP2C9
SCHEMBL21408607 0.77 IDO1 (0.50) IDO1TDO2CYP3A4DAOHSD11B1
SCHEMBL21138067 0.77 IDO1 (0.47) IDO1TDO2CYP3A4CYP2C9DAO
SCHEMBL23313149 0.77 IDO1 (0.53) IDO1TDO2CYP3A4CYP2C9DAO
Hydrochloric Acid SCHEMBL22635737 0.76 IDO1 (0.46) IDO1TDO2CYP3A4CYP2C9DAO

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774755-B1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE PHENEX DISCOVERY VERWALTUNGS GMBH (DE) 2022-05-18 EP disclosed
EP-3774755-B1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE PHENEX DISCOVERY VERWALTUNGS GMBH (DE) 2022-05-18 EP disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 US disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 US disclosed
EP-3774755-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-02-17 EP disclosed
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-2019185870-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-10-03 WO disclosed
WO-2019185870-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-10-03 WO 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 (2 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-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 IDO1 1/4885TDO2 9/4885CYP3A4 737/4885
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 7/4885CYP3A4 1254/4885

“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.