SCHEMBL21101512

SCHEMBL21101512

C=CCOC(=O)N1CCc2c(c(=O)oc3cc(O)ccc23)C1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.68
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAOA P21397 1/20 0.49
CYP1A2 P05177 1/20 0.48
MTHFD2 P13995 4/20 0.44
MTHFD1 P11586 1/20 0.43

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
SCHEMBL17619211 0.85 ERN1 (0.58) ERN1DRD4DRD2DRD3KDM4E
SCHEMBL16197645 0.81 ERN1 (1.00) ERN1
SCHEMBL16198363 0.80 ERN1 (0.78) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197634 0.79 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197966 0.79 ERN1 (0.76) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197879 0.79 ERN1 (0.84) ERN1MAOAMTHFD2MTHFD1
SCHEMBL16197986 0.77 ERN1 (0.78) ERN1DRD4DRD2DRD3ALDH1A1
SCHEMBL17601893 0.77 ERN1 (1.00) ERN1DRD4MAOAMTHFD2MTHFD1
SCHEMBL16198300 0.76 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL26876912 0.76 ERN1 (0.71) ERN1

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-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-04-06 US disclosed
US-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-06-18 US 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 (2 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-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, ERN1, SREBF1 ERN1 2/4885DRD4 4683/4885DRD2 4261/4885
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS DDIT3, NFATC1, MCL1 ERN1 57/4885DRD4 4717/4885DRD2 4670/4885

“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.