SCHEMBL6504693

SCHEMBL6504693

O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CNCCN1CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.53
EPHX2 P34913 7/20 0.47
TSHR P16473 1/20 0.46
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5158943 0.85 TSHR (0.57) EPHX1EPHX2TSHRHSD11B1ALDH1A1
SCHEMBL5157962 0.81 EPHX2 (0.46) EPHX1EPHX2TSHRHSD11B1ALDH1A1
SCHEMBL6504698 0.80 HSD11B1 (0.62) EPHX1EPHX2HSD11B1ALDH1A1MAPT
SCHEMBL5160276 0.80 HSD11B1 (0.62) EPHX1EPHX2HSD11B1ALDH1A1MAPT
SCHEMBL6502473 0.79 EPHX1 (0.46) EPHX1EPHX2TSHRHSD11B1ALDH1A1
SCHEMBL6508426 0.76 EPHX1 (0.52) EPHX1EPHX2TSHRHSD11B1
SCHEMBL5157050 0.70 EPHX2 (0.44) EPHX1EPHX2TSHRHSD11B1
SCHEMBL4542363 0.69 EPHX1 (1.00) EPHX1EPHX2ALDH1A1MAPTNPSR1
SCHEMBL31160479 0.69 EPHX2 (0.37) EPHX1EPHX2TSHRHSD11B1ALDH1A1
SCHEMBL5157950 0.68 EPHX1 (0.61) EPHX1EPHX2TSHRMAPTKMT2A

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 810/4885EPHX2 2185/4885TSHR 2376/4885

“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.