SCHEMBL23968905

SCHEMBL23968905

CC(C)C(=O)N1CCC2(CCCN2Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
MGLL Q99685 4/20 0.45
CYP2D6 P10635 2/20 0.45
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19586554 0.85 EPHX2 (0.49) MGLLCYP2D6EPHX2ALDH1A1
SCHEMBL23642541 0.82 OPRD1 (0.51) OPRD1MGLLCYP2D6EPHX2ALDH1A1
SCHEMBL18711496 0.81 CYP2D6 (0.58) OPRD1OPRK1CYP2D6EPHX2ALDH1A1
SCHEMBL1556555 0.80 EPHX2 (0.53) MGLLCYP2D6EPHX2ALDH1A1
SCHEMBL19601951 0.79 MGLL (0.60) MGLL
SCHEMBL18702131 0.78 EPHX2 (0.48) OPRD1MGLLCYP2D6EPHX2ALDH1A1
SCHEMBL25055762 0.78 OPRD1 (0.49) OPRD1OPRK1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL19582609 0.76 MGLL (0.74) MGLL
SCHEMBL23642168 0.75 CYP2D6 (0.65) CYP2D6ALDH1A1
SCHEMBL1555874 0.75 OPRD1 (0.49) OPRD1OPRK1MGLLCYP2D6EPHX2

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-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 OPRD1 80/4885OPRK1 13/4885MGLL 2/4885

“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.