SCHEMBL26705487

SCHEMBL26705487

Cc1ccnc(OCC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.40
GRIN1 Q05586 7/20 0.40
GRIN2B Q13224 7/20 0.40
ACACB O00763 1/20 0.40
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
ESR1 P03372 1/20 0.36
RAB9A P51151 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL21910852 0.83 RXRA (0.42) RXRAGRIN1GRIN2BEDNRBEDNRA
SCHEMBL16143061 0.79 ACACB (0.39) ACACBPOLBLMNAMAOAESR1
SCHEMBL13187502 0.79 CYP1A2 (0.46) RXRAGRIN1GRIN2BEDNRBEDNRA
SCHEMBL16785511 0.79 CYP1A2 (0.46) RXRAGRIN1GRIN2BEDNRBEDNRA
SCHEMBL12764023 0.78 ESR1 (0.45) NPSR1MEN1KMT2APOLBLMNA
SCHEMBL8154440 0.78 MAPK8 (0.41) RXRAGRIN1GRIN2BEDNRBEDNRA
SCHEMBL11153953 0.76 ADRB1 (0.52) LMNASMN1; SMN2
SCHEMBL29370636 0.76 EDNRB (0.46) RXRAGRIN1GRIN2BACACBEDNRB
SCHEMBL12593659 0.76 EDNRB (0.46) RXRAGRIN1GRIN2BACACBEDNRB
SCHEMBL12877020 0.74 ESR1 (0.38) RXRAGRIN1GRIN2BACACBMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 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 (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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 RXRA 4052/4885GRIN1 3871/4885GRIN2B 3822/4885

“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.