SCHEMBL6509857

SCHEMBL6509857

NC(=O)[C@H]1C[C@@H](O)CN1CC1CCN(C2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 3/20 0.35
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SMYD2 Q9NRG4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GRM2 Q14416 1/20 0.33
HSD11B1 P28845 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR2 P34972 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6508429 0.80 HSD11B1 (0.35) KDM4ETDP1HSD11B1CNR2MAOA
SCHEMBL13285011 0.76 CNR2 (0.49) OPRM1GRM2HSD11B1CNR2MAOA
SCHEMBL6508319 0.70 CNR1 (0.43) OGFRL1CNR2POLB
SCHEMBL25485065 0.68 MAOA (0.40) GRM2MAOAMAOB
SCHEMBL20158969 0.67 MAOA (0.40) GRM2MAOAMAOB
SCHEMBL20158970 0.67 MAOA (0.40) GRM2MAOAMAOB
SCHEMBL30148983 0.67 MAOA (0.40) GRM2MAOAMAOB
SCHEMBL6108276 0.66 CHRM1 (0.54) OGFRL1CHRM1KDM4ETDP1OPRM1
SCHEMBL7679006 0.66 CNR2 (0.44) CHRM5OPRM1OPRD1GRM2HSD11B1
SCHEMBL7024082 0.66 CNR2 (0.44) CHRM5OPRM1OPRD1GRM2HSD11B1

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-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 OGFRL1 2116/4885CHRM1 1498/4885CHRM2 2121/4885

“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.