SCHEMBL2954351

SCHEMBL2954351

CN(C)CCNc1nccc(N2CCc3ccccc3C2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.55
▸ MKNK2 Q9HBH9 2/20 0.55
▸ GRIN2D O15399 9/20 0.52
▸ GRIN3B O60391 9/20 0.52
▸ GRIN1 Q05586 9/20 0.52
▸ GRIN2A Q12879 9/20 0.52
▸ GRIN2B Q13224 9/20 0.52
▸ GRIN2C Q14957 9/20 0.52
▸ GRIN3A Q8TCU5 9/20 0.52
▸ CHRM1 P11229 5/20 0.52
▸ ADRA1D P25100 5/20 0.52
▸ ADRA1A P35348 5/20 0.52
▸ ADRA1B P35368 5/20 0.52
▸ ADAMTS4 O75173 1/20 0.51
▸ KDM6B O15054 3/20 0.49
▸ HRH4 Q9H3N8 2/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HRH2 P25021 1/20 0.49

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
SCHEMBL2954481 0.93 GRIN2D (0.51) MKNK1MKNK2GRIN2DGRIN3BGRIN1
SCHEMBL2950343 0.81 ACHE (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1087988 0.80 CXCR4 (0.66) MKNK1MKNK2HRH4ADRA2BADRA2C
SCHEMBL1089965 0.79 CXCR4 (0.68) MKNK1MKNK2HRH4ADRA2BADRA2C
SCHEMBL2373974 0.79 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31681849 0.79 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6960891 0.78 ADRA2B (0.48) MKNK1MKNK2GRIN2DGRIN3BGRIN1
SCHEMBL31681844 0.77 GRIN2D (0.59) MKNK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2375996 0.77 GRIN2D (0.59) MKNK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2374912 0.77 NR2C2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 — — US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 — — US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 — — EP 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MKNK1 3118/4885MKNK2 3252/4885GRIN2D 3441/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 MKNK1 3118/4885MKNK2 3252/4885GRIN2D 3441/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MKNK1 3118/4885MKNK2 3252/4885GRIN2D 3441/4885

“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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