SCHEMBL21145997

SCHEMBL21145997

CC(C)N1C2CCC1CC(O)(CC(N)=O)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.34
OPRM1 P35372 1/20 0.34
HRH3 Q9Y5N1 4/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL21146016 0.80 OPRM1 (0.30) OPRL1OPRM1
SCHEMBL7840152 0.78 OPRM1 (0.30) OPRL1OPRM1
SCHEMBL20975786 0.78 OPRM1 (0.32) OPRL1OPRM1
SCHEMBL10232783 0.73 CYP2D6 (0.38) OPRL1OPRM1HRH3ALDH1A1
SCHEMBL23475162 0.72
SCHEMBL22098680 0.71 HSD11B1 (0.36) OPRL1OPRM1
SCHEMBL23475171 0.70 EPHX1 (0.31)
SCHEMBL21145976 0.67 SMN1; SMN2 (0.37) OPRM1ALDH1A1
SCHEMBL10129912 0.66
SCHEMBL9963382 0.65 LMNA (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO 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 (2 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP OPRL1 4421/4885OPRM1 3333/4885HRH3 4079/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP OPRL1 4421/4885OPRM1 3333/4885HRH3 4079/4885

“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.