SCHEMBL21138087

SCHEMBL21138087

N#Cc1ccc2c(c1)OCC21CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.40
OPRD1 P41143 1/20 0.39
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
PNMT P11086 1/20 0.37
DAO P14920 1/20 0.37
USP2 O75604 1/20 0.35
KDM1A O60341 3/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK7 P50613 1/20 0.32

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
SCHEMBL13740056 0.88 OPRD1 (0.39) OPRD1DRD2DRD3PNMTDAO
SCHEMBL10266025 0.80 S1PR5 (0.33) S1PR5
SCHEMBL319720 0.78 HTR2C (0.46) S1PR5PNMTHTR2C
SCHEMBL14530298 0.78 HTR2C (0.46) S1PR5HTR2C
SCHEMBL320602 0.78 TMEM97 (0.40) S1PR5OPRD1DRD2
Hydrochloric Acid SCHEMBL2803816 0.77 HTR2C (0.44) S1PR5HTR2C
Hydrochloric Acid SCHEMBL321629 0.77 HTR2C (0.44) S1PR5PNMTHTR2C
SCHEMBL21138107 0.75 IDO1 (0.48) S1PR5DAO
SCHEMBL655103 0.74 TNKS (0.41) OPRD1DRD2SLC6A2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL22635733 0.74 IDO1 (0.47) OPRD1DAOHTR2C

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 3 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
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 S1PR5 2753/4885OPRD1 402/4885DRD2 3426/4885

“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.