SCHEMBL20908481

SCHEMBL20908481

CCC(C)(C)CN1CC[C@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
KCNA3 P22001 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL12425780 0.88 KDM4E (0.40) ALDH1A1GAAKDM4EHTTSPHK1
SCHEMBL4569249 0.82 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHRH3XBP1
SCHEMBL9924116 0.82 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHRH3XBP1
SCHEMBL9924115 0.82 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHRH3XBP1
SCHEMBL23085497 0.81 SPHK1 (0.39) ALDH1A1GAAKDM4ESPHK1
SCHEMBL25588742 0.80 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHRH3XBP1
SCHEMBL20847684 0.79 GLB1 (0.30)
SCHEMBL24303325 0.79 HRH3 (0.40) ALDH1A1GAAKDM4EHRH3SPHK1
SCHEMBL21673253 0.75 KDM4E (0.31) ALDH1A1GAAKDM4E
SCHEMBL347327 0.74

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-20190111058-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES INCYTE CORPORATION 2019-04-18 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 (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-20190111058-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES JAK1, JAK2, JAK3 ALDH1A1 1802/4885GAA 4569/4885KDM4E 894/4885

“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.