SCHEMBL17209367

SCHEMBL17209367

CC1(C)CCN([C@H]2CC[C@H](N)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.31
OPRM1 P35372 3/20 0.31
OPRK1 P41145 3/20 0.31

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
SCHEMBL11942149 1.00 OPRL1 (0.31) OPRL1OPRM1OPRK1
SCHEMBL2143780 1.00 OPRL1 (0.31) OPRL1OPRM1OPRK1
SCHEMBL18202930 0.89 HRH3 (0.33) OPRL1OPRM1OPRK1
SCHEMBL15883732 0.80 HRH3 (0.31)
SCHEMBL16593444 0.80 HRH3 (0.31)
SCHEMBL13227552 0.80 KDM4E (0.41)
SCHEMBL736315 0.80 KDM4E (0.41)
SCHEMBL8314294 0.79 SIGMAR1 (0.37) OPRL1
SCHEMBL15824023 0.78 HRH3 (0.42) OPRL1OPRM1OPRK1
SCHEMBL16372109 0.78 PHGDH (0.32)

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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 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 (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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 OPRL1 1971/4885OPRM1 4350/4885OPRK1 1852/4885

“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.