SCHEMBL23329319

SCHEMBL23329319

CCCCC(=O)Nc1ccc(N(C)[C@H]2Cc3ccc(OC)cc3[C@]3(CC)CCCC[C@H]23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRM1 P35372 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL23329316 0.87 MTNR1B (0.46) MTNR1AMTNR1BALDH1A1LMNAOPRM1
SCHEMBL23329761 0.81 GRIN1 (0.41) LMNAOPRM1OPRK1MEN1KMT2A
SCHEMBL18174911 0.77 GRIN1 (0.47) LMNAOPRM1OPRK1MEN1KMT2A
SCHEMBL22945773 0.75 GRIN1 (0.46) LMNAOPRM1OPRK1MEN1KMT2A
SCHEMBL23329596 0.74 GRIN1 (0.36) ALDH1A1LMNAOPRM1OPRK1MEN1
SCHEMBL23329320 0.73 OPRM1 (0.58) LMNAOPRM1OPRD1OPRK1
SCHEMBL23072577 0.73 GRIN1 (0.43) LMNAOPRM1OPRK1MEN1KMT2A
SCHEMBL23329630 0.73 OPRM1 (0.37) LMNAOPRM1HTTOPRD1OPRK1
SCHEMBL16015668 0.71 GRIN1 (0.46) LMNAOPRM1OPRK1MEN1KMT2A
SCHEMBL25906877 0.71 GRIN1 (0.43) LMNAOPRM1OPRK1MEN1KMT2A

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-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TAIWANJ PHARMACEUTICALS CO., LTD (TW) 2021-05-06 — — 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-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TLR4, TLR1, TLR3 MTNR1A 301/4885MTNR1B 161/4885ALDH1A1 4594/4885

“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.

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