SCHEMBL23623617

SCHEMBL23623617

COC1CCN(c2ncc(N)cc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
MTOR P42345 3/20 0.46
OPRK1 P41145 1/20 0.44
MAP4K4 O95819 1/20 0.40
CHRM4 P08173 4/20 0.39
AOC3 Q16853 1/20 0.38
FFAR2 O15552 1/20 0.37
LRRK2 Q5S007 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL22803863 0.85 CHRM3 (0.37) PIK3CAMTOROPRK1TRPV1PDE10A
SCHEMBL16466967 0.84 OPRK1 (0.44) PIK3CAMTOROPRK1MAP4K4AOC3
SCHEMBL23625673 0.83 KMT2A (0.44) OPRK1TRPV1
SCHEMBL16467022 0.83 OPRK1 (0.43) PIK3CAMTOROPRK1MAP4K4AOC3
SCHEMBL5252865 0.82 OPRK1 (0.46) OPRK1ACACB
SCHEMBL23623176 0.82 OPRK1 (0.43) PIK3CAMTOROPRK1TRPV1
SCHEMBL3538620 0.80 NEK2 (0.52) OPRK1
SCHEMBL23622935 0.79 PIK3CA (0.41) PIK3CAMTOROPRK1LRRK2PDE10A
SCHEMBL14782147 0.79 ALDH1A1 (0.47) OPRK1TRPV1
SCHEMBL14784205 0.79 ALDH1A1 (0.43) OPRK1CHRM4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PIK3CA 678/4885MTOR 1694/4885OPRK1 1823/4885

“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.