SCHEMBL21138823

SCHEMBL21138823

FC(F)(F)c1cc(C2CCNCC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.56
HTR2C P28335 7/20 0.50
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR6 P50406 2/20 0.42
ADRA2A P08913 1/20 0.41
AXL P30530 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40

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
SCHEMBL28875272 0.84 ADRB2 (0.45) ADRB2ADORA2AADORA1KMT2ATLR7
SCHEMBL28495169 0.80 ADRB2 (0.41) ADRB2ADORA2AADORA1KMT2ATLR7
Hydrochloric Acid SCHEMBL23359877 0.76 ADRB2 (0.52) ADRB2HTR2CADORA2AADORA1KMT2A
Hydrochloric Acid SCHEMBL29862943 0.76 ADRB2 (0.52) ADRB2HTR2CADORA2AADORA1KMT2A
SCHEMBL21138824 0.75 HTR2C (0.50) ADRB2HTR2CKMT2ACYP1A2HTR6
SCHEMBL22648456 0.75 HTR2C (0.40) ADRB2HTR2CKMT2AHTR6MEN1
SCHEMBL19297014 0.73 TLR7 (0.51) HTR2CADORA2AKMT2ACYP1A2CYP2C19
SCHEMBL8563546 0.73 HTR2C (0.40) ADRB2HTR2CKMT2AHTR6MEN1
SCHEMBL2711296 0.72 ADRB2 (1.00) ADRB2HTR2CCYP1A2HTR6ADRA2A
SCHEMBL30058924 0.72 ADRB2 (1.00) ADRB2HTR2CCYP1A2HTR6ADRA2A

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 ADRB2 2424/4885HTR2C 672/4885ADORA2A 1208/4885

“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.