SCHEMBL6509853

SCHEMBL6509853

O=C(NC1CCCCC1)[C@H]1C[C@@H](O)CN1CC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CHRM3 P20309 7/20 0.40
CHRM5 P08912 5/20 0.40
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.38
CNR2 P34972 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GBA1 P04062 1/20 0.35
CHRM2 P08172 6/20 0.34
CHRM4 P08173 6/20 0.34
CHRM1 P11229 6/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL6504279 0.81 HSD11B1 (0.51) EPHX1CNR2GBA1
SCHEMBL6506890 0.77 EPHX1 (0.55) EPHX1ALDH1A1CNR2KDM4EHPGD
SCHEMBL6508426 0.76 EPHX1 (0.52) EPHX1CNR2GBA1
SCHEMBL6502476 0.73 HSD11B1 (0.57) EPHX1CNR2KMT2A
SCHEMBL6503334 0.72 ALDH1A1 (0.42) ALDH1A1SIGMAR1KDM4ESMN1; SMN2KMT2A
SCHEMBL9892004 0.71 CNR2 (0.54) EPHX1ALDH1A1CNR2KDM4EGBA1
SCHEMBL9891991 0.71 CNR2 (0.54) EPHX1ALDH1A1CNR2KDM4EGBA1
SCHEMBL6502473 0.68 EPHX1 (0.46) EPHX1ALDH1A1CNR2KMT2A
SCHEMBL9891989 0.68 CNR2 (0.51) EPHX1ALDH1A1CHRM3CHRM5SIGMAR1
SCHEMBL9892002 0.68 CNR2 (0.51) EPHX1ALDH1A1CHRM3CHRM5SIGMAR1

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 EPHX1 810/4885ALDH1A1 114/4885CHRM3 2423/4885

“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.