SCHEMBL21138085

SCHEMBL21138085

Fc1cc(F)c2nccc(C3CCNCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
SLC6A2 P23975 11/20 0.46
SLC6A4 P31645 11/20 0.46
HTR1A P08908 9/20 0.46
SLC6A3 Q01959 6/20 0.46
RPS6KA3 P51812 1/20 0.43
NR1I2 O75469 1/20 0.41
IDO1 P14902 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL22808957 0.80 IDO1 (0.48) HTR6NR1I2IDO1CDK9
SCHEMBL7964040 0.78 IDO1 (0.56) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL22809064 0.77 IDO1 (0.42) NR1I2IDO1CDK9
SCHEMBL21138095 0.75 HTR6 (0.49) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL19284552 0.75 HTR1A (0.54) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL21138081 0.74 IDO1 (0.52) HTR6IDO1
SCHEMBL18806755 0.70 IDO1 (0.44) NR1I2IDO1
SCHEMBL17762857 0.70 IDO1 (0.44) NR1I2IDO1
SCHEMBL30232333 0.70 SLC6A2 (0.55) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL187795 0.70 SLC6A2 (0.55) HTR6SLC6A2SLC6A4HTR1ASLC6A3

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 HTR6 808/4885TNKS 1347/4885TNKS2 1516/4885

“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.