SCHEMBL26844232

SCHEMBL26844232

O=C(NCCCN1CCOCC1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
EPHX1 P07099 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL19849348 0.91 ALDH1A1 (0.71) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL19849351 0.88 SMN1; SMN2 (0.70) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL10723940 0.86 DRD2 (0.65) SMN1; SMN2MEN1KMT2A
SCHEMBL3021250 0.86 LMNA (0.56) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL12820423 0.83 GAA (0.54) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL13875530 0.83 SMN1; SMN2 (0.72) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL26814786 0.82 TSHR (0.64) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL14761461 0.82 SMN1; SMN2 (0.56) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL12820388 0.81 ALDH1A1 (0.59) SMN1; SMN2GAAEPHX1MEN1KMT2A
SCHEMBL10723369 0.81 SMN1; SMN2 (0.55) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A SMN1; SMN2 3416/4885GAA 447/4885EPHX1 910/4885

“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.