SCHEMBL21138016

SCHEMBL21138016

CC(C)c1ccc(C(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.37
LMNA P02545 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
KIF11 P52732 1/20 0.33
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL17914472 0.89 PDE2A (0.36) PDE2ALMNAGABRA1GABRB2TRPA1
SCHEMBL6124197 0.88 LMNA (0.41) PDE2ALMNAGABRA1GABRB2TRPA1
SCHEMBL17973822 0.84 PDE2A (0.41) PDE2ALMNATRPA1PTGS1HIF1A
SCHEMBL14832240 0.83 PDE2A (0.56) PDE2ALMNAKMT2ATSHRMAPT
SCHEMBL20790798 0.83 PDE2A (0.56) PDE2ALMNAKMT2ATSHRMAPT
SCHEMBL19191836 0.83 PDE2A (0.56) PDE2ALMNAKMT2ATSHRMAPT
SCHEMBL19766511 0.83 UGT2B7 (0.48) PDE2ALMNAGABRA1GABRB2TRPA1
SCHEMBL16958796 0.83 PDE2A (0.35) PDE2ALMNAGABRA1GABRB2TRPA1
SCHEMBL20738711 0.82 GABRA1 (0.39) PDE2ALMNAGABRA1GABRB2TRPV4
SCHEMBL26938106 0.81 LMNA (0.37) PDE2ALMNAGABRA1GABRB2TRPA1

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 PDE2A 1828/4885LMNA 4858/4885GABRA1 2778/4885

“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.