SCHEMBL21138142

SCHEMBL21138142

N#Cc1ccc2nccc(C3CCNCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
TDO2 P48775 2/20 0.52
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
IRAK4 Q9NWZ3 4/20 0.42
MAP3K12 Q12852 1/20 0.41

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
Hydrochloric Acid SCHEMBL22635760 0.99 IDO1 (0.51) IDO1TDO2GABRPGABRDGABRA1
SCHEMBL7964040 0.80 IDO1 (0.56) IDO1TDO2CYP2C19HTR1AHTR6
SCHEMBL21138139 0.80 IDO1 (0.52) IDO1TDO2HTR1AHTR6SLC6A2
SCHEMBL21061189 0.79 IDO1 (0.66) IDO1TDO2IRAK4CLK4SLC22A12
SCHEMBL30735573 0.76 ADRB2 (0.50) HTR1AHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL900393 0.76 ADRB2 (0.50) HTR1AHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL21138081 0.76 IDO1 (0.52) IDO1TDO2CYP2C19HTR6CHRNA1
Hydrochloric Acid SCHEMBL23130919 0.75 HTR2C (0.50) HTR1AHTR6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL21061067 0.75 HTR2C (0.50) HTR1AHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL22648495 0.75 JAK2 (0.45) IDO1TDO2IRAK4CYP2C19CHRNA1

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 7/4885GABRP 2247/4885

“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.