SCHEMBL22722152

SCHEMBL22722152

CCC1(C(=O)OC)CN(CC(=O)OCc2ccccc2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRM1 P35372 5/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1C Q13936 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NOTUM Q6P988 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21465773 0.84 CYP2D6 (0.46) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL30360515 0.83 NPC1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL20411049 0.83 NPC1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15710575 0.77 KDM4E (0.50) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL8034618 0.76 KMT2A (0.39) OPRM1ALDH1A1L3MBTL1CACNA1C
SCHEMBL1618300 0.75 NR3C1 (0.48) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL19778404 0.75 ALDH1A1 (0.44) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL12487550 0.74 ABL1 (0.45) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL20647696 0.74 CYP3A4 (0.45) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL14446963 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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-10851116-B2 Bicyclic amines as novel JAK kinase inhibitors LEO PHARMA A/S (DK) 2020-12-01 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-10851116-B2 Bicyclic amines as novel JAK kinase inhibitors JAK1, JAK2, JAK3 CHRM5 2691/4885CHRM1 2061/4885CHRM2 2603/4885

“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.