SCHEMBL21138095

SCHEMBL21138095

Fc1ccc2c(C3CCNCC3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
IDO1 P14902 3/20 0.48
SLC6A2 P23975 9/20 0.47
SLC6A4 P31645 9/20 0.47
HTR1A P08908 8/20 0.47
SLC6A3 Q01959 7/20 0.47
MPO P05164 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CASP3 P42574 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
CASP7 P55210 1/20 0.42
RPS6KA3 P51812 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
SCHEMBL7964040 0.88 IDO1 (0.56) HTR6IDO1SLC6A2SLC6A4HTR1A
SCHEMBL22871603 0.85 CHRNB4 (0.46) IDO1MPOCCNT1CDK9
SCHEMBL21138081 0.83 IDO1 (0.52) HTR6IDO1
SCHEMBL21138140 0.82 ADRB2 (0.55) HTR6IDO1SLC6A2SLC6A4HTR1A
SCHEMBL900393 0.78 ADRB2 (0.50) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL30735573 0.78 ADRB2 (0.50) HTR6SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL23130919 0.77 HTR2C (0.50) HTR6SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL21061067 0.77 HTR2C (0.50) HTR6SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL21138085 0.75 HTR6 (0.48) HTR6IDO1SLC6A2SLC6A4HTR1A
Hydrochloric Acid SCHEMBL23360406 0.75 IDO1 (0.48) IDO1SLC6A2HTR1ASLC6A3CCNT1

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 808/4885IDO1 1/4885SLC6A2 1396/4885

“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.